2-[(3-methylsulfonylphenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(3-methylsulfonylphenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(3-methylsulfonylbenzoyl)amino]hexanoic acid CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(3-methylsulfonylbenzoyl)amino]hexanoic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]hexanoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-3-4-8-12(14(17)18)15-13(16)10-6-5-7-11(9-10)21(2,19)20/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)