2-[[2-bromanyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[2-bromanyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-bromo-5-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[2-bromo-5-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-bromo-5-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[2-bromo-5-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Formula: C17H15BrN2O7S MolecularWeight: 471.2792

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15BrN2O7S/c1-20(2)28(26,27)10-4-6-13(18)12(8-10)15(21)19-14-7-9(16(22)23)3-5-11(14)17(24)25/h3-8H,1-2H3,(H,19,21)(H,22,23)(H,24,25)