3-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-[(4-methylsulfonylbenzoyl)amino]propanoic acid CAS Name: 3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-[(4-mesylbenzoyl)amino]propionic acid Formula: C11H13NO5S MolecularWeight: 271.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)9-4-2-8(3-5-9)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)