1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[dimethylsulfamoyl(phenyl)amino]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[dimethylsulfamoyl(phenyl)amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[N-(dimethylsulfamoyl)anilino]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[N-(dimethylsulfamoyl)anilino]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[N-(dimethylsulfamoyl)anilino]ethanone Traditional Name: 2-[N-(dimethylsulfamoyl)anilino]-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O5S/c1-23(2)32(28,29)26(19-6-4-3-5-7-19)16-22(27)25-12-10-24(11-13-25)15-18-8-9-20-21(14-18)31-17-30-20/h3-9,14H,10-13,15-17H2,1-2H3/p+1