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

Systemtic Name: 2-[[3-(dipropylsulfamoyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(dipropylsulfamoyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-(dipropylsulfamoyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(dipropylsulfamoyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(dipropylsulfamoyl)benzoyl]amino]terephthalic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-3-10-23(11-4-2)31(29,30)16-7-5-6-14(12-16)19(24)22-18-13-15(20(25)26)8-9-17(18)21(27)28/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)