dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(benzofurazan-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N4O8S MolecularWeight: 462.43322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NON=C32)C(=O)OC

InChI

InChI=1S/C19H18N4O8S/c1-29-18(25)11-8-12(19(26)30-2)10-13(9-11)21-16(24)6-7-20-32(27,28)15-5-3-4-14-17(15)23-31-22-14/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,24)