N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluoro-benzenesulfonamide Formula: C18H22ClFN3O2S+ MolecularWeight: 398.902583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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