3,3-dimethyl-5-oxidanylidene-5-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]pentanoic acid Openeye Name: 5-(2-hydroxy-5-sulfamoyl-anilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(2-hydroxy-5-sulfamoylanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(2-hydroxy-5-sulfamoylanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(2-hydroxy-5-sulfamoyl-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N)O)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N)O)CC(=O)O

InChI

InChI=1S/C13H18N2O6S/c1-13(2,7-12(18)19)6-11(17)15-9-5-8(22(14,20)21)3-4-10(9)16/h3-5,16H,6-7H2,1-2H3,(H,15,17)(H,18,19)(H2,14,20,21)