tert-butyl 7-(trifluoromethylsulfonyloxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-(trifluoromethylsulfonyloxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-triflyloxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C16H20F3NO5S MolecularWeight: 395.39391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H20F3NO5S/c1-15(2,3)24-14(21)20-8-6-11-4-5-13(10-12(11)7-9-20)25-26(22,23)16(17,18)19/h4-5,10H,6-9H2,1-3H3