3-[(2-ethanoyl-4-methylsulfonyl-phenyl)amino]propanoic acid

Systemtic Name: 3-[(2-ethanoyl-4-methylsulfonyl-phenyl)amino]propanoic acid Openeye Name: 3-(2-acetyl-4-methylsulfonyl-anilino)propanoic acid CAS Name: 3-(2-acetyl-4-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(2-acetyl-4-methylsulfonylanilino)propanoic acid Traditional Name: 3-(2-acetyl-4-mesyl-anilino)propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8(14)10-7-9(19(2,17)18)3-4-11(10)13-6-5-12(15)16/h3-4,7,13H,5-6H2,1-2H3,(H,15,16)