2-oxidanyl-5-[[4-[[(3S)-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[4-[[(3S)-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid Openeye Name: 5-[[4-[[(1S)-1-acetyl-3-hydroxy-3-oxo-propyl]carbamoyl]phenyl]methylsulfamoyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[4-[[[(3S)-1-hydroxy-1,4-dioxopentan-3-yl]amino]-oxomethyl]phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-[[(3S)-1-hydroxy-1,4-dioxopentan-3-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid Traditional Name: 5-[[4-[[(1S)-1-acetyl-3-hydroxy-3-keto-propyl]carbamoyl]benzyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C20H20N2O9S MolecularWeight: 464.4458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)[C@H](CC(=O)O)NC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1