methyl 4-[5-methyl-2-[(2-methylphenyl)amino]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[5-methyl-2-[(2-methylphenyl)amino]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[5-methyl-2-(2-methylanilino)-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[5-methyl-2-(o-toluidino)pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC=C4C

InChI

InChI=1S/C25H24N4O4S/c1-16-9-11-20(12-10-16)34(31,32)29-15-19(13-22(29)24(30)33-4)23-18(3)14-26-25(28-23)27-21-8-6-5-7-17(21)2/h5-15H,1-4H3,(H,26,27,28)