3-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 3-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 3-(3,5-dimethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(3,5-dimethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 3-(N-mesyl-3,5-dimethyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-9-6-10(2)8-11(7-9)13(18(3,16)17)5-4-12(14)15/h6-8H,4-5H2,1-3H3,(H,14,15)