methyl 4-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-(2-anilino-5-methyl-pyrimidin-4-yl)-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-(2-anilino-5-methyl-4-pyrimidinyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-anilino-5-methylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-(2-anilino-5-methyl-pyrimidin-4-yl)-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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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=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4S/c1-16-9-11-20(12-10-16)33(30,31)28-15-18(13-21(28)23(29)32-3)22-17(2)14-25-24(27-22)26-19-7-5-4-6-8-19/h4-15H,1-3H3,(H,25,26,27)