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

Systemtic Name: 4-fluoranyl-N-methyl-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-24(30(28,29)21-11-9-20(23)10-12-21)13-5-8-22(27)26-16-14-25(15-17-26)18-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3/p+1