4-fluoranyl-N-methyl-N-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-methyl-N-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]benzenesulfonamide Openeye Name: N-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]phenyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]phenyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]phenyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C26H29FN3O4S+ MolecularWeight: 498.589563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O4S/c1-28(35(32,33)25-13-7-22(27)8-14-25)23-9-11-24(12-10-23)34-20-26(31)30-17-15-29(16-18-30)19-21-5-3-2-4-6-21/h2-14H,15-20H2,1H3/p+1