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

Systemtic Name: (2R,5S)-5-ethyl-1-(2-methoxycarbonylphenyl)sulfonyl-2-(4-methylphenyl)-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-5-ethyl-1-(2-methoxycarbonylphenyl)sulfonyl-2-(p-tolyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-5-ethyl-1-(2-methoxycarbonylphenyl)sulfonyl-2-(4-methylphenyl)-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-5-ethyl-1-(2-methoxycarbonylphenyl)sulfonyl-2-(4-methylphenyl)-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-1-(2-carbomethoxyphenyl)sulfonyl-5-ethyl-2-(p-tolyl)-3-pyrroline-3-carboxylic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CC[C@H]1C=C([C@H](N1S(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C22H23NO6S/c1-4-16-13-18(21(24)25)20(15-11-9-14(2)10-12-15)23(16)30(27,28)19-8-6-5-7-17(19)22(26)29-3/h5-13,16,20H,4H2,1-3H3,(H,24,25)/t16-,20+/m0/s1