
 CHEMBL96794

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL96794

>  <PubChem CID>
44325922

>  <Formula>
C35H35Cl2F3N2O2S

>  <Molecular Weight>
675.632000

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

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <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)C(F)(F)F

>  <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)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C35H35Cl2F3N2O2S/c1-41(34(43)30-21-27(35(38,39)40)19-25-7-3-4-8-28(25)30)22-26(24-11-12-31(36)32(37)20-24)15-18-42-16-13-23(14-17-42)29-9-5-6-10-33(29)45(2)44/h3-12,19-21,23,26H,13-18,22H2,1-2H3/t26-,45?/m1/s1

>  <InChI Key>
BNRSRJKHXKYDQR-OENHYZHVSA-N

