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

Systemtic Name: (2-ethanoyl-4-fluoranyl-phenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-fluoro-phenyl) 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (2-acetyl-4-fluorophenyl) ester IUPAC Name: (2-acetyl-4-fluorophenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-acetyl-4-fluoro-phenyl) ester Formula: C21H16ClFN2O5S MolecularWeight: 462.878543

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

Isomeric SMILES

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

InChI

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