2-[4-(diethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: 2-[4-(diethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-[4-(diethylamino)phenyl]-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-[4-(diethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-[4-(diethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-[4-(diethylamino)phenyl]-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-23(5-2)18-10-8-17(9-11-18)21-20(22(25)26)14-15-24(21)29(27,28)19-12-6-16(3)7-13-19/h6-14,21H,4-5,15H2,1-3H3,(H,25,26)