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

Systemtic Name: 2-(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(4-dimethylaminophenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(4-dimethylaminophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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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)N(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-14-4-10-17(11-5-14)27(25,26)22-13-12-18(20(23)24)19(22)15-6-8-16(9-7-15)21(2)3/h4-12,19H,13H2,1-3H3,(H,23,24)