[6-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[5-[(tert-butylamino)-oxomethyl]-2-(3-pyridinyl)-3-pyrazolyl]-3-pyridinyl] ester IUPAC Name: [6-[5-(tert-butylcarbamoyl)-2-pyridin-3-ylpyrazol-3-yl]pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]-3-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=NC=C(C=C2)OS(=O)(=O)C(F)(F)F)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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