2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]propanoic acid

Systemtic Name: 2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]propanoic acid Openeye Name: 2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(2,4,6-trimethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(2,4,6-trimethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(N-mesyl-2,4,6-trimethyl-anilino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C(C)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C(C)C(=O)O)S(=O)(=O)C)C

InChI

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