2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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