N,N-diethyl-4-[2-[2-(4-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[2-[2-(4-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[2-[2-(4-fluorobenzoyl)hydrazino]-2-oxo-ethyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[2-[[(4-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[2-[N'-(4-fluorobenzoyl)hydrazino]-2-keto-ethyl]piperazin-4-ium-1-sulfonamide Formula: C17H27FN5O4S+ MolecularWeight: 416.490783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H26FN5O4S/c1-3-22(4-2)28(26,27)23-11-9-21(10-12-23)13-16(24)19-20-17(25)14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,19,24)(H,20,25)/p+1