4-fluoranyl-N-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[4-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-[4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H23FN3O4S+ MolecularWeight: 444.499123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O4S/c23-18-5-9-21(10-6-18)31(28,29)24-19-7-3-17(4-8-19)22(27)26-13-11-25(12-14-26)16-20-2-1-15-30-20/h1-10,15,24H,11-14,16H2/p+1