2-acetamido-5-[[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid Openeye Name: 2-acetamido-5-[[[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid CAS Name: 2-acetamido-5-[[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid IUPAC Name: 2-acetamido-5-[[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid Traditional Name: 2-acetamido-5-[[[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]sulfonylamino]sulfamoyl]benzoic acid Formula: C18H17N3O9S2 MolecularWeight: 483.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C18H17N3O9S2/c1-11(22)19-16-8-7-14(10-15(16)18(25)26)32(29,30)21-20-31(27,28)13-5-2-12(3-6-13)4-9-17(23)24/h2-10,20-21H,1H3,(H,19,22)(H,23,24)(H,25,26)/b9-4+