N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,6-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,6-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,6-difluoro-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,6-difluorobenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,6-difluorobenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,6-difluoro-benzenesulfonamide Formula: C18H22F2N3O2S+ MolecularWeight: 382.447986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC=C3F)F

InChI

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