3639
 OpenBabel05082101102D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.4030    1.2327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.8020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849   -1.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   -1.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119    0.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    1.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -0.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3639

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
494

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOABkAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAYQQAAACAqBUCQxwYLAAAKAACRCQHDCABAhBwAAiJwIZoiIICLBkpGEIAhgkAJIyCcQAAAAAAYAAEIAAYAADAAAhAADAAAAAAAAAA==

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

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

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-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-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

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

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

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

>  <PUBCHEM_IUPAC_INCHIKEY>
JZUFKLXOESDKRF-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
-0.1

>  <PUBCHEM_EXACT_MASS>
296.964476

>  <PUBCHEM_MOLECULAR_FORMULA>
C7H8ClN3O4S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
297.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

>  <PUBCHEM_CACTVS_TPSA>
135

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.964476

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
11  12  8
11  14  8
12  16  8
14  15  8
15  17  8
16  17  8

$$$$
