4-chloranyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluoranyl-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-fluorobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluorobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-benzenesulfonamide Formula: C18H22ClFN3O2S+ MolecularWeight: 398.902583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H21ClFN3O2S/c1-2-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-26(24,25)18-8-7-14(19)13-15(18)20/h3-8,13,21H,2,9-12H2,1H3/p+1