23604937
  -OEChem-04242401562D

 49 51  0     1  0  0  0  0  0999 V2000
    7.7331    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5600    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  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23604937

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABAAAAHgQQSAAACDzh0AYwAYNAAgKAACBCAHBCABAgAAAIiJgIAIgIcCKAkRCUYAAikACIiAcQAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-hydroxy-1-piperidyl)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-hydroxy-1-piperidinyl)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-oxidanylpiperidin-1-yl)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(4-hydroxypiperidino)cyclohexyl]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H26N2O3S/c20-14-10-12-19(13-11-14)17-9-5-4-8-16(17)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,14,16-18,20H,4-5,8-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
CDZZNFASZUULLT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
338.16641387

> <PUBCHEM_MOLECULAR_FORMULA>
C17H26N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
338.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCC(CC3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)N3CCC(CC3)O

> <PUBCHEM_CACTVS_TPSA>
78

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.16641387

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
7  5  3
8  6  3

$$$$