1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2-chloro-6-fluoro-benzyl)nipecotamide Formula: C22H26ClFN2OS MolecularWeight: 420.971043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H26ClFN2OS/c23-20-9-4-10-21(24)19(20)15-26-12-5-8-18(14-26)22(27)25-11-13-28-16-17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2,(H,25,27)