[3-[[2-[3,4-bis(oxidanyl)phenyl]ethanoylamino]sulfamoylcarbamoyl]-2-oxidanylidene-azetidin-3-yl]carbamic acid

Systemtic Name: [3-[[2-[3,4-bis(oxidanyl)phenyl]ethanoylamino]sulfamoylcarbamoyl]-2-oxidanylidene-azetidin-3-yl]carbamic acid Openeye Name: [3-[[[2-(3,4-dihydroxyphenyl)acetyl]amino]sulfamoylcarbamoyl]-2-oxo-azetidin-3-yl]carbamic acid CAS Name: [3-[[[[2-(3,4-dihydroxyphenyl)-1-oxoethyl]amino]sulfamoylamino]-oxomethyl]-2-oxo-3-azetidinyl]carbamic acid IUPAC Name: [3-[[[2-(3,4-dihydroxyphenyl)acetyl]amino]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid Traditional Name: [3-[[[2-(3,4-dihydroxyphenyl)acetyl]amino]sulfamoylcarbamoyl]-2-keto-azetidin-3-yl]carbamic acid Formula: C13H15N5O9S MolecularWeight: 417.3513

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1)(C(=O)NS(=O)(=O)NNC(=O)CC2=CC(=C(C=C2)O)O)NC(=O)O

Isomeric SMILES

C1C(C(=O)N1)(C(=O)NS(=O)(=O)NNC(=O)CC2=CC(=C(C=C2)O)O)NC(=O)O

InChI

InChI=1S/C13H15N5O9S/c19-7-2-1-6(3-8(7)20)4-9(21)16-18-28(26,27)17-11(23)13(15-12(24)25)5-14-10(13)22/h1-3,15,18-20H,4-5H2,(H,14,22)(H,16,21)(H,17,23)(H,24,25)