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

Systemtic Name: 4-fluoranyl-N-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[4-oxo-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide CAS Name: 4-fluoro-N-[4-oxo-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-keto-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Formula: C20H26FN4O3S+ MolecularWeight: 421.508843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O3S/c21-18-3-5-19(6-4-18)29(27,28)23-9-1-2-20(26)25-14-12-24(13-15-25)16-17-7-10-22-11-8-17/h3-8,10-11,23H,1-2,9,12-16H2/p+1