
 CHEMBL152595

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.6871    5.5033   -2.2231 C   0  0  0  0  0
    3.1588    5.1351   -2.4249 C   0  0  0  0  0
    3.6725    4.2362   -1.2926 C   0  0  0  0  0
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    3.5479    2.1813   -2.7506 N   0  0  0  0  0
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    3.3963    4.4723   -3.7890 C   0  0  0  0  0
    4.9993    1.9479   -2.8937 C   0  0  0  0  0
    5.3693    1.1235   -4.1355 C   0  0  0  0  0
    6.8808    0.7954   -4.2087 C   0  0  0  0  0
    7.2045   -0.0685   -5.4357 C   0  0  0  0  0
    7.0961    0.7005   -6.7497 C   0  0  0  0  0
    7.8936    1.9989   -6.7054 C   0  0  0  0  0
    7.5660    2.8381   -5.4745 C   0  0  0  0  0
    7.6993    2.0535   -4.2086 N   0  0  0  0  0
    9.3150    1.9746   -3.6256 S   0  0  0  0  0
   10.0457    1.0884   -4.5095 O   0  0  0  0  0
    9.7834    3.3292   -3.4190 O   0  0  0  0  0
    9.1998    1.1825   -2.0325 C   0  0  0  0  0
    9.8382   -0.0640   -1.9065 C   0  0  0  0  0
    9.7834   -0.7606   -0.7077 C   0  0  0  0  0
    9.0871   -0.2204    0.3679 C   0  0  0  0  0
    8.4522    1.0280    0.2702 C   0  0  0  0  0
    7.7650    1.5359    1.3843 C   0  0  0  0  0
    7.1411    2.7791    1.3388 C   0  0  0  0  0
    7.2023    3.5330    0.1769 C   0  0  0  0  0
    7.8686    3.0362   -0.9467 C   0  0  0  0  0
    8.5081    1.7712   -0.9389 C   0  0  0  0  0
    1.3431    6.1666   -3.0239 H   0  0  0  0  0
    1.5525    6.0348   -1.2748 H   0  0  0  0  0
    1.0364    4.6244   -2.2103 H   0  0  0  0  0
    3.7258    6.0749   -2.3998 H   0  0  0  0  0
    3.3436    4.6220   -0.3202 H   0  0  0  0  0
    4.7661    4.2856   -1.2835 H   0  0  0  0  0
    3.6834    2.1747   -0.6361 H   0  0  0  0  0
    2.1508    2.7020   -1.2737 H   0  0  0  0  0
    3.1580    2.5785   -4.8034 H   0  0  0  0  0
    1.8634    2.9573   -3.7192 H   0  0  0  0  0
    4.4628    4.5376   -4.0378 H   0  0  0  0  0
    2.8688    5.0261   -4.5750 H   0  0  0  0  0
    5.3462    1.3849   -2.0178 H   0  0  0  0  0
    5.5490    2.8936   -2.9033 H   0  0  0  0  0
    5.0583    1.6535   -5.0396 H   0  0  0  0  0
    4.8055    0.1816   -4.1186 H   0  0  0  0  0
    7.1122    0.2101   -3.3128 H   0  0  0  0  0
    6.5382   -0.9390   -5.4677 H   0  0  0  0  0
    8.2197   -0.4711   -5.3444 H   0  0  0  0  0
    7.4582    0.0732   -7.5724 H   0  0  0  0  0
    6.0453    0.9219   -6.9683 H   0  0  0  0  0
    8.9635    1.7646   -6.7274 H   0  0  0  0  0
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    8.2099    3.7238   -5.4434 H   0  0  0  0  0
    6.5449    3.2297   -5.5423 H   0  0  0  0  0
   10.3870   -0.4997   -2.7396 H   0  0  0  0  0
   10.2818   -1.7217   -0.6100 H   0  0  0  0  0
    9.0522   -0.7839    1.2988 H   0  0  0  0  0
    7.7155    0.9636    2.3089 H   0  0  0  0  0
    6.6178    3.1593    2.2120 H   0  0  0  0  0
    6.7327    4.5123    0.1385 H   0  0  0  0  0
    7.8817    3.6677   -1.8326 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL152595

>  <PubChem CID>
10715998

>  <Formula>
C23H32N2O2S

>  <Molecular Weight>
400.581000

>  <IUPAC Name>
(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCN(CC1)CCC2CCCCN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CC1CCN(CC1)CC[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C23H32N2O2S/c1-19-12-16-24(17-13-19)18-14-21-9-4-5-15-25(21)28(26,27)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,19,21H,4-5,9,12-18H2,1H3/t21-/m0/s1

>  <InChI Key>
BDPXTGHWVMUJCT-NRFANRHFSA-N

