3-[(2-methylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(2-methylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 3-(2-methyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 3-(2-methyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(2-methyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 3-(N-mesyl-2-methyl-anilino)propionic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CCC(=O)O)S(=O)(=O)C

InChI

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