[1-(2-bromophenyl)carbonyl-3,4-dihydro-2H-pyridin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-(2-bromophenyl)carbonyl-3,4-dihydro-2H-pyridin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(2-bromobenzoyl)-3,4-dihydro-2H-pyridin-6-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-[(2-bromophenyl)-oxomethyl]-3,4-dihydro-2H-pyridin-6-yl] ester IUPAC Name: [1-(2-bromobenzoyl)-3,4-dihydro-2H-pyridin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-(2-bromobenzoyl)-3,4-dihydro-2H-pyridin-6-yl] ester Formula: C13H11BrF3NO4S MolecularWeight: 414.19495

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(N(C1)C(=O)C2=CC=CC=C2Br)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC=C(N(C1)C(=O)C2=CC=CC=C2Br)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H11BrF3NO4S/c14-10-6-2-1-5-9(10)12(19)18-8-4-3-7-11(18)22-23(20,21)13(15,16)17/h1-2,5-7H,3-4,8H2