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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (4-chloro-3-methyl-phenyl) ester Formula: C20H16Cl2N2O4S MolecularWeight: 451.32304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O4S/c1-12-4-3-5-14(8-12)11-29(26,27)20-23-10-17(22)18(24-20)19(25)28-15-6-7-16(21)13(2)9-15/h3-10H,11H2,1-2H3