1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(methylthio)benzoyl]piperidino]-3-(3-pyridyl)propan-1-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCCN(C2)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-26-19-9-3-2-8-18(19)21(25)17-7-5-13-23(15-17)20(24)11-10-16-6-4-12-22-14-16/h2-4,6,8-9,12,14,17H,5,7,10-11,13,15H2,1H3/t17-/m0/s1