1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidino]-2-(4-pyridylthio)ethanone Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCCN(C2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H21ClN2O2S/c1-14-11-16(21)4-5-18(14)20(25)15-3-2-10-23(12-15)19(24)13-26-17-6-8-22-9-7-17/h4-9,11,15H,2-3,10,12-13H2,1H3/t15-/m0/s1