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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3OC)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3OC)C4CCNCC4

InChI

InChI=1S/C23H28N2O2S/c1-25-22(26)18-7-3-4-8-19(18)23(25,17-11-14-24-15-12-17)13-16-28-21-10-6-5-9-20(21)27-2/h3-10,17,24H,11-16H2,1-2H3