5560
 OpenBabel05082101102D

 28 29  0  0  1  0  0  0  0  0999 V2000
    9.5304    0.5737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6644    2.0737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.0979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -0.9263    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.9504    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323   -1.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -1.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989   -0.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -0.4263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.0737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    0.5737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0663   -0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6644    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353    0.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -0.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796   -1.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2013    1.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796    1.7284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -2.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5560

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
571

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABmAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAYQQAAACAvBUOQxwYLAAAKAACRCQHDCABAhBwAAiJwIZoiIICLBkpHEIAhgkALIyCcQAAAAAAYAAEIAAYAADAAAhAADAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2<I>H</I>-1&lambda;<SUP>6</SUP>,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_NAME>
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[bis(chloranyl)methyl]-6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-3-(dichloromethyl)-1,1-diketo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)

>  <PUBCHEM_IUPAC_INCHIKEY>
LMJSLTNSBFUCMU-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
0.6

>  <PUBCHEM_EXACT_MASS>
378.902181

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H8Cl3N3O4S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
380.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl

>  <PUBCHEM_CACTVS_TPSA>
135

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
378.902181

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
13  18  3
14  15  8
14  16  8
15  19  8
16  17  8
17  20  8
19  20  8

$$$$
