6-[4-(methylsulfonylamino)phenyl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[4-(methylsulfonylamino)phenyl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-(methanesulfonamido)phenyl]-6-oxo-hexanoic acid CAS Name: 6-[4-(methanesulfonamido)phenyl]-6-oxohexanoic acid IUPAC Name: 6-[4-(methanesulfonamido)phenyl]-6-oxohexanoic acid Traditional Name: 6-keto-6-[4-(methanesulfonamido)phenyl]hexanoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCCCC(=O)O

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)14-11-8-6-10(7-9-11)12(15)4-2-3-5-13(16)17/h6-9,14H,2-5H2,1H3,(H,16,17)