[6-(3-azanyl-3-oxidanylidene-propyl)-5-cyano-4-propyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(3-azanyl-3-oxidanylidene-propyl)-5-cyano-4-propyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(3-amino-3-oxo-propyl)-5-cyano-4-propyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(3-amino-3-oxopropyl)-5-cyano-4-propyl-2-pyridinyl] ester IUPAC Name: [6-(3-amino-3-oxopropyl)-5-cyano-4-propylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-(3-amino-3-keto-propyl)-5-cyano-4-propyl-2-pyridyl] ester Formula: C13H14F3N3O4S MolecularWeight: 365.32817

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=C1C#N)CCC(=O)N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC1=CC(=NC(=C1C#N)CCC(=O)N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O4S/c1-2-3-8-6-12(23-24(21,22)13(14,15)16)19-10(9(8)7-17)4-5-11(18)20/h6H,2-5H2,1H3,(H2,18,20)