[6-(5-oxidanylidene-2H-pyrrol-1-yl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(5-oxidanylidene-2H-pyrrol-1-yl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-6-(5-oxo-2H-pyrrol-1-yl)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(5-oxo-2H-pyrrol-1-yl)-2-(phenylmethyl)-3-pyridinyl] ester IUPAC Name: [2-benzyl-6-(5-oxo-2H-pyrrol-1-yl)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-6-(2-keto-3-pyrrolin-1-yl)-3-pyridyl] ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)N1C2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C=CC(=O)N1C2=NC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C17H13F3N2O4S/c18-17(19,20)27(24,25)26-14-8-9-15(22-10-4-7-16(22)23)21-13(14)11-12-5-2-1-3-6-12/h1-9H,10-11H2