methyl 2-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: methyl 2-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: methyl 2-(3,5-dibromo-2-methoxy-phenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 2-(3,5-dibromo-2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dibromo-2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(3,5-dibromo-2-methoxy-phenyl)-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C20H19Br2NO5S MolecularWeight: 545.24156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC(=CC(=C3OC)Br)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC(=CC(=C3OC)Br)Br)C(=O)OC

InChI

InChI=1S/C20H19Br2NO5S/c1-12-4-6-14(7-5-12)29(25,26)23-9-8-15(20(24)28-3)18(23)16-10-13(21)11-17(22)19(16)27-2/h4-8,10-11,18H,9H2,1-3H3