N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H23N4O6S+ MolecularWeight: 459.49552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4)OC

InChI

InChI=1S/C21H22N4O6S/c1-24-5-7-25(8-6-24)32(27,28)20-10-14(3-4-17(20)29-2)21(26)23-16-11-19-18(30-13-31-19)9-15(16)12-22/h3-4,9-11H,5-8,13H2,1-2H3,(H,23,26)/p+1