61128250
  -OEChem-04262410232D

 30 31  0     0  0  0  0  0  0999 V2000
    8.6291    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514   -0.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6291    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8859    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1810   -0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.0769    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6291   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2261   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212    1.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0922    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    1.6138    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 18  1  0  0  0  0
  2 20  1  0  0  0  0
  5 16  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 16  1  0  0  0  0
  8 23  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 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 30  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
61128250

> <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>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAyB0AAwxYLQREKJAKVSU3LCCBAtIgAoiB3GbMoOJjLEtb+POSjk1BHY6Ye8FwIAAAAAAAAAAQAAAAAAAAACAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
NMWRIKXYZWBJHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
311.02120619

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
311.27

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

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

> <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  12  8
11  13  8
12  14  8
13  15  8
14  17  8
15  17  8
18  19  8
19  21  8
2  18  8
2  20  8
20  21  8

$$$$