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

Systemtic Name: methyl 4-[2-[(2-chlorophenyl)amino]-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(2-chloroanilino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(2-chloroanilino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-chloroanilino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(2-chloroanilino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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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=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC=C4Cl

InChI

InChI=1S/C24H21ClN4O4S/c1-15-8-10-18(11-9-15)34(31,32)29-14-17(12-21(29)23(30)33-3)22-16(2)13-26-24(28-22)27-20-7-5-4-6-19(20)25/h4-14H,1-3H3,(H,26,27,28)