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

Systemtic Name: 2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(4-ethylphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(4-ethylphenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-3-15-6-8-16(9-7-15)19-18(20(22)23)12-13-21(19)26(24,25)17-10-4-14(2)5-11-17/h4-12,19H,3,13H2,1-2H3,(H,22,23)