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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: N-[6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-22-9-11-23(12-10-22)18(24)14-7-8-16-17(13-14)27-19(20-16)21-28(25,26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,21)/p+1