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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC=CC(=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC=CC(=C3)C)Cl

InChI

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