N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methylidene]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methylidene]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methylene]-4-fluoro-benzenesulfonamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-phenylmethylidene]-4-fluorobenzenesulfonamide IUPAC Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide Traditional Name: 4-fluoro-N-[phenyl-(4-piperonylpiperazin-4-ium-1-yl)methylene]benzenesulfonamide Formula: C25H25FN3O4S+ MolecularWeight: 482.547103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=NS(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=NS(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H24FN3O4S/c26-21-7-9-22(10-8-21)34(30,31)27-25(20-4-2-1-3-5-20)29-14-12-28(13-15-29)17-19-6-11-23-24(16-19)33-18-32-23/h1-11,16H,12-15,17-18H2/p+1