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

Systemtic Name: 2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(3,4-dichlorophenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(3,4-dichlorophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C18H15Cl2NO4S MolecularWeight: 412.287

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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)Cl)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2NO4S/c1-11-2-5-13(6-3-11)26(24,25)21-9-8-14(18(22)23)17(21)12-4-7-15(19)16(20)10-12/h2-8,10,17H,9H2,1H3,(H,22,23)