N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C21H32FN4O4S+ MolecularWeight: 455.566583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H31FN4O4S/c1-23(31(29,30)19-8-6-18(22)7-9-19)16-20(27)26-14-12-24(13-15-26)17-21(28)25-10-4-2-3-5-11-25/h6-9H,2-5,10-17H2,1H3/p+1