(5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C22H20ClFN2O4S MolecularWeight: 462.921603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O4S/c1-13(2)17-9-4-14(3)10-19(17)30-21(27)20-18(23)11-25-22(26-20)31(28,29)12-15-5-7-16(24)8-6-15/h4-11,13H,12H2,1-3H3