tert-butyl (2S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: tert-butyl (2S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-(p-tolyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-(p-tolyl)-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H27NO4S/c1-16-6-10-18(11-7-16)21-20(22(25)28-23(3,4)5)14-15-24(21)29(26,27)19-12-8-17(2)9-13-19/h6-14,21H,15H2,1-5H3/t21-/m0/s1