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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(1-methylpyrrol-2-yl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-2-(1-methyl-2-pyrrolyl)-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(1-methylpyrrol-2-yl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=CN3C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=CN3C)C(=O)O

InChI

InChI=1S/C17H18N2O4S/c1-12-5-7-13(8-6-12)24(22,23)19-11-9-14(17(20)21)16(19)15-4-3-10-18(15)2/h3-10,16H,11H2,1-2H3,(H,20,21)