3272524
  -OEChem-04242409092D

 31 33  0     0  0  0  0  0  0999 V2000
    8.3061    0.8267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    1.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945   -0.1733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4007    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8962   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.8661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8962   -1.5346    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.3060    0.8151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    2.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    2.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6222    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    0.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  4 22  2  0  0  0  0
  5 23  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 23  1  0  0  0  0
  9 29  1  0  0  0  0
 10 17  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
3272524

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
653

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAADxUAAAHgQUQAAADAiB2AAwwcLQQAKJAiVSU3DCABAhAgAoiBiAdIoIYCLA0fGUIAxglADIyAcQgIAOiACAwAQWACAQAQGACCwAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_NAME>
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-diketo-6-nitro-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
UQNAFPHGVPVTAL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
336.01645516

> <PUBCHEM_MOLECULAR_FORMULA>
C12H8N4O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
336.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3

> <PUBCHEM_CACTVS_TPSA>
173

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.01645516

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
12  13  8
12  15  8
12  17  8
13  14  8
13  19  8
14  16  8
15  20  8
16  18  8
17  18  8
19  21  8
20  21  8
22  23  8
8  14  8
8  22  8
9  16  8
9  23  8

$$$$