3-[3,4-bis(oxidanyl)phenyl]-2-[(4-sulfamoylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[(4-sulfamoylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-[(4-sulfamoylbenzoyl)amino]propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(4-sulfamoylbenzoyl)amino]propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-[(4-sulfamoylbenzoyl)amino]propionic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H16N2O7S/c17-26(24,25)11-4-2-10(3-5-11)15(21)18-12(16(22)23)7-9-1-6-13(19)14(20)8-9/h1-6,8,12,19-20H,7H2,(H,18,21)(H,22,23)(H2,17,24,25)