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

Systemtic Name: 3-chloranyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-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=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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