1-[4-methylidene-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole

Systemtic Name: 1-[4-methylidene-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole Openeye Name: 2-benzyl-1-[4-methylene-1-(p-tolylsulfonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydroisoindole CAS Name: 1-[4-methylene-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole IUPAC Name: 2-benzyl-1-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-4,5,6,7-tetrahydroisoindole Traditional Name: 2-benzyl-1-(4-methylene-1-tosyl-pyrrolidin-3-yl)-4,5,6,7-tetrahydroisoindole Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=C)C2)C3=C4CCCCC4=CN3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=C)C2)C3=C4CCCCC4=CN3CC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2S/c1-20-12-14-24(15-13-20)32(30,31)29-16-21(2)26(19-29)27-25-11-7-6-10-23(25)18-28(27)17-22-8-4-3-5-9-22/h3-5,8-9,12-15,18,26H,2,6-7,10-11,16-17,19H2,1H3