2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C20H21NO6S/c1-13-4-7-15(8-5-13)28(24,25)21-11-10-16(20(22)23)19(21)14-6-9-17(26-2)18(12-14)27-3/h4-10,12,19H,11H2,1-3H3,(H,22,23)