2-[[1-[2-(3-methoxyphenyl)sulfanylethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 2-[[1-[2-(3-methoxyphenyl)sulfanylethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(3-methoxyphenyl)sulfanylethyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 2-[[1-[2-[(3-methoxyphenyl)thio]ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(3-methoxyphenyl)sulfanylethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-[2-[(3-methoxyphenyl)thio]ethyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCCN2CCC(CC2)CN3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC(=CC=C1)SCCN2CCC(CC2)CN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H28N2O2S/c1-27-20-6-4-7-21(15-20)28-14-13-24-11-9-18(10-12-24)16-25-17-19-5-2-3-8-22(19)23(25)26/h2-8,15,18H,9-14,16-17H2,1H3