[6-(oxan-2-ylmethoxy)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(oxan-2-ylmethoxy)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-6-(tetrahydropyran-2-ylmethoxy)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(2-oxanylmethoxy)-2-(phenylmethyl)-3-pyridinyl] ester IUPAC Name: [2-benzyl-6-(oxan-2-ylmethoxy)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-6-(tetrahydropyran-2-ylmethoxy)-3-pyridyl] ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)COC2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H20F3NO5S/c20-19(21,22)29(24,25)28-17-9-10-18(27-13-15-8-4-5-11-26-15)23-16(17)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,15H,4-5,8,11-13H2