5-[[4-[carboxymethyl(2-oxidanylidenepropyl)carbamoyl]phenyl]methylsulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[4-[carboxymethyl(2-oxidanylidenepropyl)carbamoyl]phenyl]methylsulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[4-[acetonyl(carboxymethyl)carbamoyl]phenyl]methylsulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[4-[[carboxymethyl(2-oxopropyl)amino]-oxomethyl]phenyl]methylsulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[4-[carboxymethyl(2-oxopropyl)carbamoyl]phenyl]methylsulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[4-[acetonyl(carboxymethyl)carbamoyl]benzyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C20H20N2O9S MolecularWeight: 464.4458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN(CC(=O)O)C(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(=O)CN(CC(=O)O)C(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H20N2O9S/c1-12(23)10-22(11-18(25)26)19(27)14-4-2-13(3-5-14)9-21-32(30,31)15-6-7-17(24)16(8-15)20(28)29/h2-8,21,24H,9-11H2,1H3,(H,25,26)(H,28,29)