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

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide Formula: C18H21ClF2N3O2S+ MolecularWeight: 416.893046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClF2N3O2S/c1-2-23-7-9-24(10-8-23)17-6-3-13(19)11-16(17)22-27(25,26)18-12-14(20)4-5-15(18)21/h3-6,11-12,22H,2,7-10H2,1H3/p+1