1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidino]-2-(4-pyridylthio)ethanone Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2CCCN(C2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CC[C@H]2CCCN(C2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C21H26N2O2S/c1-25-19-6-2-4-17(14-19)7-8-18-5-3-13-23(15-18)21(24)16-26-20-9-11-22-12-10-20/h2,4,6,9-12,14,18H,3,5,7-8,13,15-16H2,1H3/t18-/m1/s1