N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2-cyano-4,5-diethoxyphenyl)-4-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2-cyano-4,5-diethoxyphenyl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H31N4O6S+ MolecularWeight: 503.59114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CC[NH+](CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CC[NH+](CC3)C)OCC

InChI

InChI=1S/C24H30N4O6S/c1-5-33-21-13-18(16-25)19(15-22(21)34-6-2)26-24(29)17-7-8-20(32-4)23(14-17)35(30,31)28-11-9-27(3)10-12-28/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,26,29)/p+1