dimethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(piazthiol-4-ylsulfonylamino)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)OC

InChI

InChI=1S/C20H20N4O7S2/c1-30-19(26)12-9-13(20(27)31-2)11-14(10-12)22-17(25)7-4-8-21-33(28,29)16-6-3-5-15-18(16)24-32-23-15/h3,5-6,9-11,21H,4,7-8H2,1-2H3,(H,22,25)