(3S)-1-(4-chlorophenyl)carbonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[4-(3-pyridinylmethylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[4-(3-pyridylmethylthio)phenyl]nipecotamide Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H24ClN3O2S/c26-21-7-5-19(6-8-21)25(31)29-14-2-4-20(16-29)24(30)28-22-9-11-23(12-10-22)32-17-18-3-1-13-27-15-18/h1,3,5-13,15,20H,2,4,14,16-17H2,(H,28,30)/t20-/m0/s1