ethyl 7-bromanyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: ethyl 7-bromo-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-1-triflyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester Formula: C14H13BrF3NO4S MolecularWeight: 428.22153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N(CC1)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N(CC1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H13BrF3NO4S/c1-2-23-13(20)9-5-6-19(24(21,22)14(16,17)18)12-4-3-11(15)8-10(12)7-9/h3-4,7-8H,2,5-6H2,1H3