(3S)-1-(4-fluorophenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorobenzoyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorobenzoyl)-N-[3-(methylthio)phenyl]nipecotamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O2S/c1-26-18-6-2-5-17(12-18)22-19(24)15-4-3-11-23(13-15)20(25)14-7-9-16(21)10-8-14/h2,5-10,12,15H,3-4,11,13H2,1H3,(H,22,24)/t15-/m0/s1