4-fluoranyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide CAS Name: 4-fluoro-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Formula: C20H28FN3O2S+2 MolecularWeight: 393.518623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O2S/c1-23-14-15-24(20(16-23)17-6-3-2-4-7-17)13-5-12-22-27(25,26)19-10-8-18(21)9-11-19/h2-4,6-11,20,22H,5,12-16H2,1H3/p+2/t20-/m1/s1