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

Systemtic Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C23H26FN4O2S+ MolecularWeight: 441.541543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CN=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+1/t23-/m1/s1