2-methyl-3-[(4-methylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 2-methyl-3-[(4-methylsulfonylphenyl)amino]propanoic acid Openeye Name: 2-methyl-3-(4-methylsulfonylanilino)propanoic acid CAS Name: 2-methyl-3-(4-methylsulfonylanilino)propanoic acid IUPAC Name: 2-methyl-3-(4-methylsulfonylanilino)propanoic acid Traditional Name: 3-(4-mesylanilino)-2-methyl-propionic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(CNC1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H15NO4S/c1-8(11(13)14)7-12-9-3-5-10(6-4-9)17(2,15)16/h3-6,8,12H,7H2,1-2H3,(H,13,14)