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

Systemtic Name: (2R,5S)-5-ethyl-2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-5-ethyl-1-(4-nitrophenyl)sulfonyl-2-(p-tolyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-5-ethyl-2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-5-ethyl-2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-5-ethyl-1-nosyl-2-(p-tolyl)-3-pyrroline-3-carboxylic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-3-15-12-18(20(23)24)19(14-6-4-13(2)5-7-14)21(15)29(27,28)17-10-8-16(9-11-17)22(25)26/h4-12,15,19H,3H2,1-2H3,(H,23,24)/t15-,19+/m0/s1