56973483
  -OEChem-04232413592D

 32 34  0     0  0  0  0  0  0999 V2000
    3.0000   -0.7306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -2.3184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4920    0.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4920    2.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981    1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4848   -0.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4848    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9338    0.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9338    2.1023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013   -2.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -3.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644   -3.7710    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 15  1  0  0  0  0
  2 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56973483

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
636

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABgAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAACBwAAAHgQQQAAADAyF2ACwAYBAAAqMAqRSQHBDAZAkCBBIiBmAAMgIIDKglRGAIQAggAAoiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-amino-1,4-dioxo-2-naphthyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-amino-1,4-dioxo-2-naphthalenyl)-2-thiophenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-azanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-amino-1,4-diketo-2-naphthyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2

> <PUBCHEM_IUPAC_INCHIKEY>
NPCKKXBEDMGYHD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
334.00819915

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

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

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

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.00819915

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  11  8
10  16  8
11  17  8
15  20  8
16  18  8
17  19  8
18  19  8
2  15  8
2  22  8
20  21  8
21  22  8

$$$$