
 CHEMBL114012

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.2110    0.3600    0.2775 C   0  0  0  0  0
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    3.8389   -0.9999   -1.5045 H   0  0  0  0  0
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    2.2735    2.7152   -1.2263 H   0  0  0  0  0
    4.5588    1.1722    0.1008 H   0  0  0  0  0
    3.2346    1.9872    0.9049 H   0  0  0  0  0
    5.3561    0.6884   -1.9431 H   0  0  0  0  0
    5.4784    2.3005   -2.6410 H   0  0  0  0  0
    4.9001    1.4169   -4.8793 H   0  0  0  0  0
    4.7715   -0.2070   -4.2181 H   0  0  0  0  0
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    7.8148    3.8209   -2.3455 H   0  0  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL114012

>  <PubChem CID>
44343212

>  <Formula>
C23H32N2O2S

>  <Molecular Weight>
400.581000

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

>  <XlogP>
4.9

>  <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)CCC2CCCCN2S(=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

>  <InChI Key>
BDPXTGHWVMUJCT-UHFFFAOYSA-N

