N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H23N4O3S2+ MolecularWeight: 467.58372

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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=CC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O3S2/c1-26-11-13-27(14-12-26)32(29,30)18-7-4-6-17(15-18)22(28)25-23-24-21-19-8-3-2-5-16(19)9-10-20(21)31-23/h2-10,15H,11-14H2,1H3,(H,24,25,28)/p+1