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

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

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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=C(C=CC(=C3)C)C(=O)C)Cl

Isomeric SMILES

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

InChI

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