(2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-5-isopropyl-2-(p-tolyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-5-isopropyl-2-(p-tolyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=CC(N2S(=O)(=O)C3=CC=C(C=C3)C)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C[C@@H](N2S(=O)(=O)C3=CC=C(C=C3)C)C(C)C)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-14(2)20-13-19(22(24)25)21(17-9-5-15(3)6-10-17)23(20)28(26,27)18-11-7-16(4)8-12-18/h5-14,20-21H,1-4H3,(H,24,25)/t20-,21-/m1/s1