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

Systemtic Name: 4-fluoranyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C18H22FN4O3S+ MolecularWeight: 393.455683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3S/c19-16-1-3-17(4-2-16)27(25,26)21-13-18(24)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8,21H,9-14H2/p+1