N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-1-ium-3-yl-ethyl]benzenesulfonamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-1-ium-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-1-ium-3-yl-ethyl]benzenesulfonamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-1-ium-3-ylethyl]benzenesulfonamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-1-ium-3-yl-ethyl]benzenesulfonamide Formula: C23H27FN4O2S+2 MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CC=C2)C3=C[NH+]=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CC=C2)C3=C[NH+]=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2S/c24-20-8-10-21(11-9-20)27-13-15-28(16-14-27)23(19-5-4-12-25-17-19)18-26-31(29,30)22-6-2-1-3-7-22/h1-12,17,23,26H,13-16,18H2/p+2