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

Systemtic Name: N-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: N-[6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C23H22N5O3S2+ MolecularWeight: 480.58248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O3S2/c29-22(28-14-12-27(13-15-28)21-8-4-5-11-24-21)17-9-10-19-20(16-17)32-23(25-19)26-33(30,31)18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,26)/p+1