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

Systemtic Name: 3-[2-(3-methoxyphenyl)sulfanylethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one Openeye Name: 3-[2-(3-methoxyphenyl)sulfanylethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 3-[2-[(3-methoxyphenyl)thio]ethyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 3-[2-(3-methoxyphenyl)sulfanylethyl]-2-methyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 3-[2-[(3-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(=C3)OC)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC(=C3)OC)C4CCNCC4

InChI

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