3136342
  -OEChem-04232421102D

 30 31  0     0  0  0  0  0  0999 V2000
    4.9483    3.7257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -2.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483    3.7257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483    3.7257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -0.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -5.0357    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    4.7257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.1222    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9483    2.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    2.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    2.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    0.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    0.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -0.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -2.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -3.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853    5.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4114    5.0357    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 26  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  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  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>
3136342

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
503

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAyB0AAwxYLQREKJAKVSU3LCCBAtIgAoiBnGbMoOJjLEtb+POSjk1BHY6Ye8FwIAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-nitro-N-(4-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-nitro-N-(4-sulfamoylphenyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-nitro-<I>N</I>-(4-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-nitro-N-(4-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-N-(4-sulfamoylphenyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-nitro-N-(4-sulfamoylphenyl)-2-furamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
SAYHLTLNKTVJLR-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=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=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  13  8
11  14  8
12  15  8
12  16  8
13  15  8
14  16  8
17  19  8
19  21  8
2  17  8
2  20  8
20  21  8

$$$$