(3,5-dimethylphenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(2-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (3,5-dimethylphenyl) ester Formula: C20H16ClFN2O4S MolecularWeight: 434.868443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F)C

InChI

InChI=1S/C20H16ClFN2O4S/c1-12-7-13(2)9-15(8-12)28-19(25)18-16(21)10-23-20(24-18)29(26,27)11-14-5-3-4-6-17(14)22/h3-10H,11H2,1-2H3