60635840
  -OEChem-04262419112D

 30 31  0     0  0  0  0  0  0999 V2000
    7.0820    3.0575    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -2.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0820    3.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    3.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -1.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6630    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    0.0575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    4.0575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.5585    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.0820    2.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    1.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    1.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    0.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    0.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -1.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704   -1.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6790    1.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    1.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    0.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    0.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -0.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846   -1.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    4.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5451    4.3675    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  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  5 18  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 28  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
60635840

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAyB0AAwxYLQREKJAKVSU3LCCBAtIgAoiBnGbMoOJjLEtb+POSzk1BHY6Ye8FwIAAAAAACAAAAAAAAAAQAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-nitro-N-(3-sulfamoylphenyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-nitro-<I>N</I>-(3-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-nitro-N-(3-sulfamoylphenyl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9N3O6S/c12-21(18,19)8-3-1-2-7(6-8)13-11(15)9-4-5-10(20-9)14(16)17/h1-6H,(H,13,15)(H2,12,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
OXMJGHGEGVSPIK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
311.02120619

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
311.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.02120619

> <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>
11  13  8
11  14  8
12  13  8
12  15  8
14  16  8
15  16  8
17  19  8
19  21  8
2  17  8
2  20  8
20  21  8

$$$$