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

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

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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=CC=C3

Isomeric SMILES

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

InChI

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