4-[(3-methylsulfonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-methylsulfonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-methylsulfonylanilino)-4-oxo-butanoic acid CAS Name: 4-(3-methylsulfonylanilino)-4-oxobutanoic acid IUPAC Name: 4-(3-methylsulfonylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(3-mesylanilino)butyric acid Formula: C11H13NO5S MolecularWeight: 271.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)