methyl 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-13-3-6-15(7-4-13)28(23,24)21-10-9-16(20(22)25-2)19(21)14-5-8-17-18(11-14)27-12-26-17/h3-9,11,19H,10,12H2,1-2H3