[5-(1,4-diazepan-1-yl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-(1,4-diazepan-1-yl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-(1,4-diazepan-1-yl)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-(1,4-diazepan-1-yl)-3-pyridinyl] ester IUPAC Name: [5-(1,4-diazepan-1-yl)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-(1,4-diazepan-1-yl)-3-pyridyl] ester Formula: C11H14F3N3O3S MolecularWeight: 325.30737

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=CN=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C2=CC(=CN=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H14F3N3O3S/c12-11(13,14)21(18,19)20-10-6-9(7-16-8-10)17-4-1-2-15-3-5-17/h6-8,15H,1-5H2