(4-ethanoyl-2-fluoranyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-2-fluoranyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-acetyl-2-fluoro-phenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (4-acetyl-2-fluorophenyl) ester IUPAC Name: (4-acetyl-2-fluorophenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid (4-acetyl-2-fluoro-phenyl) ester Formula: C20H14ClFN2O5S MolecularWeight: 448.851963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClFN2O5S/c1-12(25)14-7-8-17(16(22)9-14)29-19(26)18-15(21)10-23-20(24-18)30(27,28)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3