(4-methylphenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (4-methylphenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: p-tolyl 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid p-tolyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H17ClN2O4S/c1-13-6-8-16(9-7-13)27-19(24)18-17(21)11-22-20(23-18)28(25,26)12-15-5-3-4-14(2)10-15/h3-11H,12H2,1-2H3