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

Systemtic Name: 2-pyridin-4-ylsulfanyl-1-[(3S)-3-[3-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]ethanone Openeye Name: 2-(4-pyridylsulfanyl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 2-pyridin-4-ylsulfanyl-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone Traditional Name: 2-(4-pyridylthio)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidino]ethanone Formula: C20H19F3N2O2S MolecularWeight: 408.43727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O2S/c21-20(22,23)16-5-1-3-14(11-16)19(27)15-4-2-10-25(12-15)18(26)13-28-17-6-8-24-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2/t15-/m0/s1