1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[2-(p-tolylthio)ethyl]nipecotamide Formula: C22H26ClFN2OS MolecularWeight: 420.971043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCCN(C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCCN(C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2OS/c1-16-7-9-18(10-8-16)28-13-11-25-22(27)17-4-3-12-26(14-17)15-19-20(23)5-2-6-21(19)24/h2,5-10,17H,3-4,11-15H2,1H3,(H,25,27)