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

Systemtic Name: phenyl 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: phenyl 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-(trifluoromethylsulfonyloxy)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-triflyloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester Formula: C14H14F3NO5S MolecularWeight: 365.32487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H14F3NO5S/c15-14(16,17)24(20,21)23-12-9-5-2-6-10-18(12)13(19)22-11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2