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

Systemtic Name: ethyl (2S,5S)-5-tert-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl (2S,5S)-5-tert-butyl-2-(p-tolyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S,5S)-5-tert-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5S)-5-tert-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S,5S)-5-tert-butyl-2-(p-tolyl)-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(C1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C[C@H](N([C@H]1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C

InChI

InChI=1S/C25H31NO4S/c1-7-30-24(27)21-16-22(25(4,5)6)26(23(21)19-12-8-17(2)9-13-19)31(28,29)20-14-10-18(3)11-15-20/h8-16,22-23H,7H2,1-6H3/t22-,23-/m0/s1