N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-fluoranyl-N-phenyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-fluoro-N-phenyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-fluoro-N-phenylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-fluoro-N-phenylbenzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-phenyl-benzenesulfonamide Formula: C26H27FN3O5S+ MolecularWeight: 512.573083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O5S/c27-21-7-9-23(10-8-21)36(32,33)30(22-4-2-1-3-5-22)18-26(31)29-14-12-28(13-15-29)17-20-6-11-24-25(16-20)35-19-34-24/h1-11,16H,12-15,17-19H2/p+1