6-[(3-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-methylsulfonylanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-methylsulfonylanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-methylsulfonylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(3-mesylanilino)hexanoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)11-6-4-5-10(9-11)14-12(15)7-2-3-8-13(16)17/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)(H,16,17)