3295
 OpenBabel05082101102D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.8600   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3295

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
341

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgQQQAAACAyh1gIyx7IIFAqkASRiRHCL+aBhKjhImDw2bJgMJqLksZuGOCjkwBFI6AewQAAAAEAABAAAAQAAgAAIAAACAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_CAS_NAME>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_NAME>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-ethoxy-1,3-benzothiazole-2-sulfonamide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)

>  <PUBCHEM_IUPAC_INCHIKEY>
OUZWUKMCLIBBOG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
2

>  <PUBCHEM_EXACT_MASS>
258.013285

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H10N2O3S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
258.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N

>  <PUBCHEM_CACTVS_TPSA>
119

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.013285

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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
12  14  8
13  14  8
2  10  8
2  8  8
6  10  8
6  9  8
8  11  8
8  9  8
9  13  8

$$$$
