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

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

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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=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

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