azepan-1-ylsulfonyl-methyl-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]azanium

Systemtic Name: azepan-1-ylsulfonyl-methyl-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]azanium Openeye Name: azepan-1-ylsulfonyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium CAS Name: 1-azepanylsulfonyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium IUPAC Name: azepan-1-ylsulfonyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium Traditional Name: azepan-1-ylsulfonyl-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]-methyl-ammonium Formula: C16H23F3N3O4S+ MolecularWeight: 410.43173

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H22F3N3O4S/c1-21(27(24,25)22-10-4-2-3-5-11-22)12-15(23)20-13-6-8-14(9-7-13)26-16(17,18)19/h6-9H,2-5,10-12H2,1H3,(H,20,23)/p+1