[4-(4-fluorophenyl)-6-propan-2-yl-5-(trifluoromethylsulfonyloxy)pyrimidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-6-propan-2-yl-5-(trifluoromethylsulfonyloxy)pyrimidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [4-(4-fluorophenyl)-6-isopropyl-5-(trifluoromethylsulfonyloxy)pyrimidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-6-propan-2-yl-5-(trifluoromethylsulfonyloxy)-2-pyrimidinyl] ester IUPAC Name: [4-(4-fluorophenyl)-6-propan-2-yl-5-(trifluoromethylsulfonyloxy)pyrimidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-6-isopropyl-5-triflyloxy-pyrimidin-2-yl] ester Formula: C21H18F4N2O6S2 MolecularWeight: 534.501033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=C(C(=N2)C(C)C)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=C(C(=N2)C(C)C)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18F4N2O6S2/c1-12(2)17-19(32-35(30,31)21(23,24)25)18(14-6-8-15(22)9-7-14)27-20(26-17)33-34(28,29)16-10-4-13(3)5-11-16/h4-12H,1-3H3