[5-(phenylcarbamoyl)-3-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-(phenylcarbamoyl)-3-(phenylmethyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-benzyl-5-(phenylcarbamoyl)-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-[anilino(oxo)methyl]-3-(phenylmethyl)-2-pyridinyl] ester IUPAC Name: [3-benzyl-5-(phenylcarbamoyl)pyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-benzyl-5-(phenylcarbamoyl)-2-pyridyl] ester Formula: C20H15F3N2O4S MolecularWeight: 436.40431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=CC(=C2)C(=O)NC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=CC(=C2)C(=O)NC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S/c21-20(22,23)30(27,28)29-19-15(11-14-7-3-1-4-8-14)12-16(13-24-19)18(26)25-17-9-5-2-6-10-17/h1-10,12-13H,11H2,(H,25,26)