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

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-methyl-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-acetyl-4-methyl-phenyl) ester Formula: C21H16ClFN2O5S MolecularWeight: 462.878543

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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=C(C=C3)F)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O5S/c1-12-3-8-18(16(9-12)13(2)26)30-20(27)19-17(22)10-24-21(25-19)31(28,29)11-14-4-6-15(23)7-5-14/h3-10H,11H2,1-2H3