N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C25H35N4O6S+ MolecularWeight: 519.6336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6S/c1-5-34-22-11-10-20(17-23(22)35-6-2)26-24(30)18-28(4)25(31)19-8-7-9-21(16-19)36(32,33)29-14-12-27(3)13-15-29/h7-11,16-17H,5-6,12-15,18H2,1-4H3,(H,26,30)/p+1