[5-bromanyl-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-bromanyl-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridin-4-yl] ester IUPAC Name: [1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (1-besyl-5-bromo-3,6-dihydro-2H-pyridin-4-yl) ester Formula: C12H11BrF3NO5S2 MolecularWeight: 450.24865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1OS(=O)(=O)C(F)(F)F)Br)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=C1OS(=O)(=O)C(F)(F)F)Br)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H11BrF3NO5S2/c13-10-8-17(23(18,19)9-4-2-1-3-5-9)7-6-11(10)22-24(20,21)12(14,15)16/h1-5H,6-8H2