azepan-1-ylsulfonyl-ethyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium

Systemtic Name: azepan-1-ylsulfonyl-ethyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium Openeye Name: azepan-1-ylsulfonyl-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: 1-azepanylsulfonyl-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: azepan-1-ylsulfonyl-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: azepan-1-ylsulfonyl-ethyl-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]ammonium Formula: C17H25F3N3O3S+ MolecularWeight: 408.45891

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24F3N3O3S/c1-2-22(27(25,26)23-11-7-3-4-8-12-23)13-16(24)21-15-10-6-5-9-14(15)17(18,19)20/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,21,24)/p+1