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

Systemtic Name: 2-[[3-(dimethylsulfamoyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(dimethylsulfamoyl)benzoyl]amino]terephthalic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-19(2)27(25,26)12-5-3-4-10(8-12)15(20)18-14-9-11(16(21)22)6-7-13(14)17(23)24/h3-9H,1-2H3,(H,18,20)(H,21,22)(H,23,24)