dimethyl 5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H27N3O6S/c1-4-24-9-11-25(12-10-24)20-8-6-5-7-19(20)23-32(28,29)18-14-16(21(26)30-2)13-17(15-18)22(27)31-3/h5-8,13-15,23H,4,9-12H2,1-3H3/p+1