1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(methylthio)benzoyl]piperidino]-3-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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