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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F)C

InChI

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