4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N)F

InChI

InChI=1S/C20H24FN3O4S/c1-15(25)16-2-7-20(19(21)14-16)24-10-8-23(9-11-24)12-13-28-17-3-5-18(6-4-17)29(22,26)27/h2-7,14H,8-13H2,1H3,(H2,22,26,27)/p+1