4-fluoranyl-N,N-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N,N-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-fluoro-N,N-dimethyl-benzenesulfonamide CAS Name: 4-fluoro-N,N-dimethyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-fluoro-N,N-dimethylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-fluoro-N,N-dimethyl-benzenesulfonamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c1-22(2)28(26,27)17-8-9-19(21)18(14-17)20(25)24-12-10-23(11-13-24)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1