3,3-dimethyl-5-oxidanylidene-5-[(4-sulfamoylphenyl)amino]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[(4-sulfamoylphenyl)amino]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(4-sulfamoylanilino)valeric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-13(2,8-12(17)18)7-11(16)15-9-3-5-10(6-4-9)21(14,19)20/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)(H2,14,19,20)