1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]ethanone CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]ethanone Formula: C29H31N3O2S MolecularWeight: 485.64034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S/c1-21-11-12-26(29(34)32-17-24-9-5-6-10-25(24)18-32)28(30-21)23-13-15-31(16-14-23)27(33)20-35-19-22-7-3-2-4-8-22/h2-12,23H,13-20H2,1H3