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

Systemtic Name: (2-ethanoyl-4-fluoranyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-fluoro-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (2-acetyl-4-fluorophenyl) ester IUPAC Name: (2-acetyl-4-fluorophenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-acetyl-4-fluoro-phenyl) ester Formula: C20H13ClF2N2O5S MolecularWeight: 466.842426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClF2N2O5S/c1-11(26)15-8-14(23)6-7-17(15)30-19(27)18-16(21)9-24-20(25-18)31(28,29)10-12-2-4-13(22)5-3-12/h2-9H,10H2,1H3