5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid

Systemtic Name: 5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid Openeye Name: 5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-hydroxy-4-oxo-butyl)amino]benzoic acid CAS Name: 5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-hydroxy-4-oxobutyl)amino]benzoic acid IUPAC Name: 5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-hydroxy-4-oxobutyl)amino]benzoic acid Traditional Name: 5-[(2-carboxyphenyl)sulfamoyl]-2-[(4-hydroxy-4-keto-butyl)amino]benzoic acid Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C18H18N2O8S/c21-16(22)6-3-9-19-14-8-7-11(10-13(14)18(25)26)29(27,28)20-15-5-2-1-4-12(15)17(23)24/h1-2,4-5,7-8,10,19-20H,3,6,9H2,(H,21,22)(H,23,24)(H,25,26)