(phenylmethyl) 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-triflyloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C15H16F3NO5S MolecularWeight: 379.35145

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H16F3NO5S/c16-15(17,18)25(21,22)24-13-9-5-2-6-10-19(13)14(20)23-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2