2-[dimethylsulfamoyl(phenyl)amino]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[dimethylsulfamoyl(phenyl)amino]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[N-(dimethylsulfamoyl)anilino]ethanone CAS Name: 2-[N-(dimethylsulfamoyl)anilino]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[N-(dimethylsulfamoyl)anilino]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[N-(dimethylsulfamoyl)anilino]ethanone Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-22(2)29(27,28)25(20-11-7-4-8-12-20)18-21(26)24-15-13-23(14-16-24)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3/p+1