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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 1-tosyl-2-(3,4,5-trimethoxyphenyl)-3-pyrroline-3-carboxylic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-13-5-7-15(8-6-13)30(25,26)22-10-9-16(21(23)24)19(22)14-11-17(27-2)20(29-4)18(12-14)28-3/h5-9,11-12,19H,10H2,1-4H3,(H,23,24)