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

Systemtic Name: 3-fluoranyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide CAS Name: 3-fluoro-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Traditional Name: 3-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=CC(=C3)F

Isomeric SMILES

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

InChI

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