N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Formula: C19H26FN3O2S+2 MolecularWeight: 379.492043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O2S/c1-22-11-13-23(14-12-22)19(16-7-9-17(20)10-8-16)15-21-26(24,25)18-5-3-2-4-6-18/h2-10,19,21H,11-15H2,1H3/p+2/t19-/m1/s1