3-azanyl-N1-[[[[3,4-bis(oxidanyl)phenyl]carbonylamino]carbamoylamino]sulfamoyl]-2-oxidanylidene-azetidine-1,3-dicarboxamide

Systemtic Name: 3-azanyl-N1-[[[[3,4-bis(oxidanyl)phenyl]carbonylamino]carbamoylamino]sulfamoyl]-2-oxidanylidene-azetidine-1,3-dicarboxamide Openeye Name: 3-amino-N1-[[[(3,4-dihydroxybenzoyl)amino]carbamoylamino]sulfamoyl]-2-oxo-azetidine-1,3-dicarboxamide CAS Name: 3-amino-N1-[[[[[(3,4-dihydroxyphenyl)-oxomethyl]hydrazo]-oxomethyl]amino]sulfamoyl]-2-oxoazetidine-1,3-dicarboxamide IUPAC Name: 3-amino-1-N-[[[(3,4-dihydroxybenzoyl)amino]carbamoylamino]sulfamoyl]-2-oxoazetidine-1,3-dicarboxamide Traditional Name: 3-amino-2-keto-N-[[(protocatechuoylamino)carbamoylamino]sulfamoyl]azetidine-1,3-dicarboxamide Formula: C13H16N8O9S MolecularWeight: 460.37934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1C(=O)NS(=O)(=O)NNC(=O)NNC(=O)C2=CC(=C(C=C2)O)O)(C(=O)N)N

Isomeric SMILES

C1C(C(=O)N1C(=O)NS(=O)(=O)NNC(=O)NNC(=O)C2=CC(=C(C=C2)O)O)(C(=O)N)N

InChI

InChI=1S/C13H16N8O9S/c14-9(25)13(15)4-21(10(13)26)12(28)19-31(29,30)20-18-11(27)17-16-8(24)5-1-2-6(22)7(23)3-5/h1-3,20,22-23H,4,15H2,(H2,14,25)(H,16,24)(H,19,28)(H2,17,18,27)