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

Systemtic Name: (4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (4-acetyl-3-methyl-phenyl) 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-acetyl-3-methylphenyl) ester IUPAC Name: (4-acetyl-3-methylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (4-acetyl-3-methyl-phenyl) ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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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)C(=O)C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5S/c1-13-5-4-6-16(9-13)12-31(28,29)22-24-11-19(23)20(25-22)21(27)30-17-7-8-18(15(3)26)14(2)10-17/h4-11H,12H2,1-3H3