3232214
  -OEChem-05122405242D

 60 63  0     0  0  0  0  0  0999 V2000
    2.0000   -6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    4.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    5.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    5.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    6.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    6.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    6.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    6.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  6 26  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  8 44  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 22  1  0  0  0  0
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 20 24  1  0  0  0  0
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 21 25  1  0  0  0  0
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 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3232214

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
701

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgYQQAAADQrh2CYwwYPABAKIAiVSUHDCABAlBwAIiJkIZsgKIDLBl5GHIQhglgDYyYcYiACOBAQAAAAAAAAICAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chloro-N-[[1-(4-morpholinosulfonylphenyl)-4-piperidyl]methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-N-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-<I>N</I>-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-chloro-N-[[1-(4-morpholinosulfonylphenyl)-4-piperidyl]methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H28ClN3O4S/c24-20-3-1-19(2-4-20)23(28)25-17-18-9-11-26(12-10-18)21-5-7-22(8-6-21)32(29,30)27-13-15-31-16-14-27/h1-8,18H,9-17H2,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
QVTCJYIHJLYJOC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
477.1489053

> <PUBCHEM_MOLECULAR_FORMULA>
C23H28ClN3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
478.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1CNC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1CNC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
87.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
477.1489053

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
16  17  8
16  18  8
17  22  8
18  23  8
19  22  8
19  23  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8

$$$$