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

Systemtic Name: 1-[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(3-fluoro-4-methoxy-benzoyl)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidino]-2-(4-pyridylthio)ethanone Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC3=CC=NC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O3S/c1-26-18-5-4-14(11-17(18)21)20(25)15-3-2-10-23(12-15)19(24)13-27-16-6-8-22-9-7-16/h4-9,11,15H,2-3,10,12-13H2,1H3/t15-/m0/s1