(2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-acetyl-3,5-dimethyl-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (2-acetyl-3,5-dimethylphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-acetyl-3,5-dimethyl-phenyl) ester Formula: C22H18ClFN2O5S MolecularWeight: 476.905123

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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)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)C

InChI

InChI=1S/C22H18ClFN2O5S/c1-12-8-13(2)19(14(3)27)18(9-12)31-21(28)20-17(23)10-25-22(26-20)32(29,30)11-15-4-6-16(24)7-5-15/h4-10H,11H2,1-3H3