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

Systemtic Name: 4-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: 4-methoxy-N-[6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: 4-methoxy-N-[6-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C20H23N4O4S2+ MolecularWeight: 447.55102

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-23-9-11-24(12-10-23)19(25)14-3-8-17-18(13-14)29-20(21-17)22-30(26,27)16-6-4-15(28-2)5-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,22)/p+1