2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-chloro-3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Formula: C17H15ClN2O7S MolecularWeight: 426.8282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7S/c1-20(2)28(26,27)14-8-9(4-6-12(14)18)15(21)19-13-7-10(16(22)23)3-5-11(13)17(24)25/h3-8H,1-2H3,(H,19,21)(H,22,23)(H,24,25)