60528364
  -OEChem-05062417002D

 43 45  0     0  0  0  0  0  0999 V2000
    5.6859    2.6581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    3.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4949    2.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2736    3.4672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1897    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2682    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    4.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547    5.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    5.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973    2.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8254    3.0908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4362    4.8267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3529    4.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2866    3.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3700    4.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6256    5.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    5.4615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508    5.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4060    5.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 40  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  CHG  2   7  -1  11   1
M  END
> <PUBCHEM_COMPOUND_CID>
60528364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
658

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQBAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABwAAAHwQUQAAACAzB0AwwxYLQREKJAKVSU3LCCBAlIgAoiBnObMoOJjLE9f+HOSjk1BHY6YeYFwIAAAAAAAQAAAAAAAAACAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-fluoro-5-nitro-phenyl)-5-(1-piperidylsulfonyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-fluoro-5-nitrophenyl)-5-(1-piperidinylsulfonyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-fluoro-5-nitrophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2-fluoro-5-nitrophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-fluoranyl-5-nitro-phenyl)-5-piperidin-1-ylsulfonyl-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-fluoro-5-nitro-phenyl)-5-piperidinosulfonyl-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16FN3O6S/c17-12-5-4-11(20(22)23)10-13(12)18-16(21)14-6-7-15(26-14)27(24,25)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,18,21)

> <PUBCHEM_IUPAC_INCHIKEY>
QNRNHXJDQRQWCE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
397.07438457

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16FN3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
397.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.07438457

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
17  18  8
18  20  8
19  20  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
3  17  8
3  19  8

$$$$