(4-propan-2-ylphenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (4-propan-2-ylphenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (4-isopropylphenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(2-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid p-cumenyl ester Formula: C21H18ClFN2O4S MolecularWeight: 448.895023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O4S/c1-13(2)14-7-9-16(10-8-14)29-20(26)19-17(22)11-24-21(25-19)30(27,28)12-15-5-3-4-6-18(15)23/h3-11,13H,12H2,1-2H3