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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide Formula: C18H22F2N3O2S+ MolecularWeight: 382.447986

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=CC(=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H21F2N3O2S/c1-2-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-26(24,25)18-13-14(19)7-8-15(18)20/h3-8,13,21H,2,9-12H2,1H3/p+1