56951850
  -OEChem-04192415582D

 45 48  0     0  0  0  0  0  0999 V2000
    3.7320   -0.9806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -2.5684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.9944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.9944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965   -4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56951850

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
750

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAACBwAAAHgQQQAAADAzF2ASwAYNAAAqMAqRSQHBDAZAkCBBIiBmIAMgIIDKglTGEIQAggACoiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1,4-dioxo-3-(1-piperidyl)-2-naphthyl]thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1,4-dioxo-3-(1-piperidinyl)-2-naphthalenyl]-2-thiophenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,4-bis(oxidanylidene)-3-piperidin-1-yl-naphthalen-2-yl]thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-diketo-3-piperidino-2-naphthyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O4S2/c22-18-13-7-2-3-8-14(13)19(23)17(21-10-4-1-5-11-21)16(18)20-27(24,25)15-9-6-12-26-15/h2-3,6-9,12,20H,1,4-5,10-11H2

> <PUBCHEM_IUPAC_INCHIKEY>
LVWXYNRARMCRFM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
402.07079941

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
402.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
402.07079941

> <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  19  8
17  20  8
19  21  8
2  24  8
2  27  8
20  22  8
21  23  8
22  23  8
24  25  8
25  26  8
26  27  8

$$$$