3-[ethanoyl-(4-methylsulfonylphenyl)amino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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