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

Systemtic Name: N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-difluoro-benzenesulfonamide CAS Name: N-[5-bromo-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3,5-difluorobenzenesulfonamide IUPAC Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-difluorobenzenesulfonamide Traditional Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-difluoro-benzenesulfonamide Formula: C17H19BrF2N3O2S+ MolecularWeight: 447.317466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrF2N3O2S/c1-22-4-6-23(7-5-22)17-3-2-12(18)8-16(17)21-26(24,25)15-10-13(19)9-14(20)11-15/h2-3,8-11,21H,4-7H2,1H3/p+1