N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C15H21F3N3O3S+ MolecularWeight: 380.40575

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H20F3N3O3S/c1-20-7-4-8-21(10-9-20)14(22)11-19-25(23,24)13-6-3-2-5-12(13)15(16,17)18/h2-3,5-6,19H,4,7-11H2,1H3/p+1