methyl (5S)-5-acetamido-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,6-dihydro-1H-isoindole-5-carboxylate

Systemtic Name: methyl (5S)-5-acetamido-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,6-dihydro-1H-isoindole-5-carboxylate Openeye Name: methyl (5S)-5-acetamido-4,7-dimethyl-2-(p-tolylsulfonyl)-3,6-dihydro-1H-isoindole-5-carboxylate CAS Name: (5S)-5-acetamido-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,6-dihydro-1H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl (5S)-5-acetamido-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,6-dihydro-1H-isoindole-5-carboxylate Traditional Name: (5S)-5-acetamido-4,7-dimethyl-2-tosyl-3,6-dihydro-1H-isoindole-5-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CN(CC2=C(C(C1)(C(=O)OC)NC(=O)C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=C2CN(CC2=C([C@@](C1)(C(=O)OC)NC(=O)C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O5S/c1-13-6-8-17(9-7-13)29(26,27)23-11-18-14(2)10-21(20(25)28-5,22-16(4)24)15(3)19(18)12-23/h6-9H,10-12H2,1-5H3,(H,22,24)/t21-/m0/s1