2-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]amino]terephthalic acid

Systemtic Name: 2-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]amino]terephthalic acid Openeye Name: 2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]anilino]terephthalic acid CAS Name: 2-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]anilino]terephthalic acid IUPAC Name: 2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]terephthalic acid Traditional Name: 2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]anilino]terephthalic acid Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17N3O7S/c1-10-11(2)21-29-17(10)22-30(27,28)14-6-4-13(5-7-14)20-16-9-12(18(23)24)3-8-15(16)19(25)26/h3-9,20,22H,1-2H3,(H,23,24)(H,25,26)