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

Systemtic Name: (2S)-2-[(2-methylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: (2S)-2-(2-methyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: (2S)-2-(2-methyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: (2S)-2-(2-methyl-N-methylsulfonylanilino)propanoic acid Traditional Name: (2S)-2-(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(C(C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N([C@@H](C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H15NO4S/c1-8-6-4-5-7-10(8)12(17(3,15)16)9(2)11(13)14/h4-7,9H,1-3H3,(H,13,14)/t9-/m0/s1