[5-[3-(tert-butylcarbamoyl)-5-pyridin-2-yl-pyrazol-1-yl]pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-[3-(tert-butylcarbamoyl)-5-pyridin-2-yl-pyrazol-1-yl]pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-[3-(tert-butylcarbamoyl)-5-(2-pyridyl)pyrazol-1-yl]-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-[3-[(tert-butylamino)-oxomethyl]-5-(2-pyridinyl)-1-pyrazolyl]-2-pyridinyl] ester IUPAC Name: [5-[3-(tert-butylcarbamoyl)-5-pyridin-2-ylpyrazol-1-yl]pyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-[3-(tert-butylcarbamoyl)-5-(2-pyridyl)pyrazol-1-yl]-2-pyridyl] ester Formula: C19H18F3N5O4S MolecularWeight: 469.43753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=CC=CC=N2)C3=CN=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=CC=CC=N2)C3=CN=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H18F3N5O4S/c1-18(2,3)25-17(28)14-10-15(13-6-4-5-9-23-13)27(26-14)12-7-8-16(24-11-12)31-32(29,30)19(20,21)22/h4-11H,1-3H3,(H,25,28)