2-[(2-ethyl-6-methyl-phenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(2-ethyl-6-methyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(2-ethyl-N-mesyl-6-methyl-anilino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(C(C)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1N(C(C)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C13H19NO4S/c1-5-11-8-6-7-9(2)12(11)14(19(4,17)18)10(3)13(15)16/h6-8,10H,5H2,1-4H3,(H,15,16)