2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-8-6-5-7-9(2)11(8)13(18(4,16)17)10(3)12(14)15/h5-7,10H,1-4H3,(H,14,15)