methyl (5S,7aS)-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,5,7a-tetrahydroisoindole-5-carboxylate

Systemtic Name: methyl (5S,7aS)-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,5,7a-tetrahydroisoindole-5-carboxylate Openeye Name: methyl (5S,7aS)-6-phenyl-2-(p-tolylsulfonyl)-1,3,5,7a-tetrahydroisoindole-5-carboxylate CAS Name: (5S,7aS)-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,5,7a-tetrahydroisoindole-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,7aS)-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,5,7a-tetrahydroisoindole-5-carboxylate Traditional Name: (5S,7aS)-6-phenyl-2-tosyl-1,3,5,7a-tetrahydroisoindole-5-carboxylic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C=C(C(C=C3C2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3C=C([C@H](C=C3C2)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H23NO4S/c1-16-8-10-20(11-9-16)29(26,27)24-14-18-12-21(17-6-4-3-5-7-17)22(23(25)28-2)13-19(18)15-24/h3-13,18,22H,14-15H2,1-2H3/t18-,22+/m1/s1