(2R,5S)-5-ethyl-2-(4-methylphenyl)-1-(phenylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2R,5S)-5-ethyl-2-(4-methylphenyl)-1-(phenylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-1-(benzenesulfonyl)-5-ethyl-2-(p-tolyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-1-(benzenesulfonyl)-5-ethyl-2-(4-methylphenyl)-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-1-(benzenesulfonyl)-5-ethyl-2-(4-methylphenyl)-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-1-besyl-5-ethyl-2-(p-tolyl)-3-pyrroline-3-carboxylic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-3-16-13-18(20(22)23)19(15-11-9-14(2)10-12-15)21(16)26(24,25)17-7-5-4-6-8-17/h4-13,16,19H,3H2,1-2H3,(H,22,23)/t16-,19+/m0/s1