4-fluoranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C19H20FN4O3S2+ MolecularWeight: 435.515503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN4O3S2/c1-23-8-10-24(11-9-23)18(25)13-2-7-16-17(12-13)28-19(21-16)22-29(26,27)15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,22)/p+1