2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanyl-heptyl]-5,6-dimethoxy-1,3-dihydroisoindole

Systemtic Name: 2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanyl-heptyl]-5,6-dimethoxy-1,3-dihydroisoindole Openeye Name: 2-[7-(3,4-dimethoxyphenyl)-7-(p-tolylsulfanyl)heptyl]-5,6-dimethoxy-isoindoline CAS Name: 2-[7-(3,4-dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-5,6-dimethoxy-1,3-dihydroisoindole IUPAC Name: 2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanylheptyl]-5,6-dimethoxy-1,3-dihydroisoindole Traditional Name: 2-[7-(3,4-dimethoxyphenyl)-7-(p-tolylthio)heptyl]-5,6-dimethoxy-isoindoline Formula: C32H41NO4S MolecularWeight: 535.73724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCN2CC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H41NO4S/c1-23-11-14-27(15-12-23)38-32(24-13-16-28(34-2)29(18-24)35-3)10-8-6-7-9-17-33-21-25-19-30(36-4)31(37-5)20-26(25)22-33/h11-16,18-20,32H,6-10,17,21-22H2,1-5H3