
 CHEMBL2373189

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2373189

>  <PubChem CID>
73345760

>  <Formula>
C34H36Cl2N2O2S

>  <Molecular Weight>
607.634000

>  <IUPAC Name>
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CN(C[C@@H](CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C34H36Cl2N2O2S/c1-37(34(39)30-12-7-9-24-8-3-4-10-28(24)30)23-27(26-14-15-31(35)32(36)22-26)18-21-38-19-16-25(17-20-38)29-11-5-6-13-33(29)41(2)40/h3-15,22,25,27H,16-21,23H2,1-2H3/t27-,41?/m1/s1

>  <InChI Key>
BHYOUSXFDYYCRF-YTAZJQBPSA-N

