N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

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