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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-difluoro-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-difluorobenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-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=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

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