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

Systemtic Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-5-propyl-2-(p-tolyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-5-propyl-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:

CCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC[C@H]1C=C([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-4-5-18-14-20(22(24)25)21(17-10-6-15(2)7-11-17)23(18)28(26,27)19-12-8-16(3)9-13-19/h6-14,18,21H,4-5H2,1-3H3,(H,24,25)/t18-,21+/m0/s1