2534258
  -OEChem-04272400332D

 35 36  0     0  0  0  0  0  0999 V2000
    4.9483    3.1307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -2.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -0.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    4.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -5.6307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    4.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.7172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9483    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    4.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -3.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -3.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    5.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    1.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -1.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4114    4.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -2.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -4.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4344    5.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    6.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1944    5.6307    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 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
  9 29  1  0  0  0  0
 10 20  1  0  0  0  0
 10 30  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   7  -1  11   1
M  END
> <PUBCHEM_COMPOUND_CID>
2534258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
602

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQUQAAACAyB0AAyxYLQREKJAKVSU3LCCBAtIgAoiBnGbMoOJjLEtb+POSjk1BHY6Ye8FwIAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(acetylsulfamoyl)phenyl]-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(acetylsulfamoyl)phenyl]-5-nitro-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(acetylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(acetylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(ethanoylsulfamoyl)phenyl]-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(acetylsulfamoyl)phenyl]-5-nitro-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H11N3O7S/c1-8(17)15-24(21,22)10-4-2-9(3-5-10)14-13(18)11-6-7-12(23-11)16(19)20/h2-7H,1H3,(H,14,18)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
ARLJRHBBHNOZOY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
353.03177087

> <PUBCHEM_MOLECULAR_FORMULA>
C13H11N3O7S

> <PUBCHEM_MOLECULAR_WEIGHT>
353.31

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

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

> <PUBCHEM_CACTVS_TPSA>
160

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.03177087

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  14  8
12  15  8
13  16  8
13  17  8
14  16  8
15  17  8
19  21  8
2  19  8
2  22  8
21  23  8
22  23  8

$$$$