56973480
  -OEChem-05082408312D

 30 32  0     0  0  0  0  0  0999 V2000
    4.4487   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.9945    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -1.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    1.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56973480

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
591

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABgAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAACBwAAAHgQQQAAADAyF2ACwAYBAAAqMAqRSQHBDAZAkChBIiBmAAMgIIDKglRGAIQAggAAoiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,4-dioxo-2-naphthyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1,4-dioxo-2-naphthalenyl)-2-thiophenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-diketo-2-naphthyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9NO4S2/c16-12-8-11(14(17)10-5-2-1-4-9(10)12)15-21(18,19)13-6-3-7-20-13/h1-8,15H

> <PUBCHEM_IUPAC_INCHIKEY>
CCRGMRWDYPRESG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
318.99730012

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9NO4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
319.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=O)C=C(C2=O)NS(=O)(=O)C3=CC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=O)C=C(C2=O)NS(=O)(=O)C3=CC=CS3

> <PUBCHEM_CACTVS_TPSA>
117

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.99730012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  16  8
14  19  8
15  17  8
16  18  8
17  18  8
19  20  8
2  14  8
2  21  8
20  21  8
9  10  8
9  15  8

$$$$