
 CHEMBL310369

 65 67  0  0  0  0  0  0  0  0999 V2000
    2.7913   -3.2322   -1.7873 C   0  0  0  0  0
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    9.1619   -1.4274   -2.7291 H   0  0  0  0  0
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    4.5019    1.1000   -2.0891 H   0  0  0  0  0
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    3.1247   -7.0817   -5.9554 H   0  0  0  0  0
    2.8769   -4.6543   -5.5008 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL310369

>  <PubChem CID>
44461785

>  <Formula>
C24H33N3O4S

>  <Molecular Weight>
459.605000

>  <IUPAC Name>
methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]carbamate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)NC(=O)OC)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C[C@@H](CCN1CCC(CC1)NC(=O)OC)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H33N3O4S/c1-26(32(29,30)23-11-7-4-8-12-23)19-21(20-9-5-3-6-10-20)13-16-27-17-14-22(15-18-27)25-24(28)31-2/h3-12,21-22H,13-19H2,1-2H3,(H,25,28)/t21-/m1/s1

>  <InChI Key>
AAOGRFLITNLSTM-OAQYLSRUSA-N

