3-[1-(4-methylsulfonylphenyl)ethylamino]propanoic acid

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanoic acid Openeye Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanoic acid CAS Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanoic acid IUPAC Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanoic acid Traditional Name: 3-[1-(4-mesylphenyl)ethylamino]propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-9(13-8-7-12(14)15)10-3-5-11(6-4-10)18(2,16)17/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)