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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O2S/c1-2-23-9-11-24(12-10-23)15-6-4-3-5-14(15)22-27(25,26)16-8-7-13(19)17(20)18(16)21/h3-8,22H,2,9-12H2,1H3/p+1