2-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]terephthalic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)NC)C

InChI

InChI=1S/C18H18N2O7S/c1-9-6-12(8-15(10(9)2)28(26,27)19-3)16(21)20-14-7-11(17(22)23)4-5-13(14)18(24)25/h4-8,19H,1-3H3,(H,20,21)(H,22,23)(H,24,25)