dimethyl 5-[2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H31N4O7S+ MolecularWeight: 471.54774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H30N4O7S/c1-5-23(6-2)32(28,29)24-9-7-22(8-10-24)14-18(25)21-17-12-15(19(26)30-3)11-16(13-17)20(27)31-4/h11-13H,5-10,14H2,1-4H3,(H,21,25)/p+1