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

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

Systemtic Name:azepan-1-ylsulfonyl-methyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium
Openeye Name:azepan-1-ylsulfonyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium
CAS Name:1-azepanylsulfonyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium
IUPAC Name:azepan-1-ylsulfonyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
Traditional Name:azepan-1-ylsulfonyl-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]-methyl-ammonium
Formula: C16H23F3N3O3S+
MolecularWeight: 394.43233
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H22F3N3O3S/c1-21(26(24,25)22-10-6-2-3-7-11-22)12-15(23)20-14-9-5-4-8-13(14)16(17,18)19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,20,23)/p+1


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