2,5-bis(fluoranyl)-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 2,5-bis(fluoranyl)-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 2,5-difluoro-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 2,5-difluoro-N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 2,5-difluoro-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 2,5-difluoro-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C23H25F2N4O2S+ MolecularWeight: 459.532006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F2N4O2S/c24-19-8-9-21(25)23(15-19)32(30,31)27-17-22(18-5-4-10-26-16-18)29-13-11-28(12-14-29)20-6-2-1-3-7-20/h1-10,15-16,22,27H,11-14,17H2/p+1/t22-/m1/s1