(2R)-2-[(4-ethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: (2R)-2-[(4-ethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: (2R)-2-(4-ethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: (2R)-2-(4-ethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: (2R)-2-(4-ethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: (2R)-2-(4-ethyl-N-mesyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N([C@H](C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-4-10-5-7-11(8-6-10)13(18(3,16)17)9(2)12(14)15/h5-9H,4H2,1-3H3,(H,14,15)/t9-/m1/s1