1-[4-phenyl-1-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonyl-piperidin-4-yl]ethanone

Systemtic Name: 1-[4-phenyl-1-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonyl-piperidin-4-yl]ethanone Openeye Name: 1-[1-(2-benzylsulfanylpyridine-3-carbonyl)-4-phenyl-4-piperidyl]ethanone CAS Name: 1-[1-[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]-4-phenyl-4-piperidinyl]ethanone IUPAC Name: 1-[1-(2-benzylsulfanylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]ethanone Traditional Name: 1-[1-[2-(benzylthio)nicotinoyl]-4-phenyl-4-piperidyl]ethanone Formula: C26H26N2O2S MolecularWeight: 430.56184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2S/c1-20(29)26(22-11-6-3-7-12-22)14-17-28(18-15-26)25(30)23-13-8-16-27-24(23)31-19-21-9-4-2-5-10-21/h2-13,16H,14-15,17-19H2,1H3