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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H17NO6S/c1-12-2-5-14(6-3-12)27(23,24)20-9-8-15(19(21)22)18(20)13-4-7-16-17(10-13)26-11-25-16/h2-8,10,18H,9,11H2,1H3,(H,21,22)