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

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)acetic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-8-5-4-6-9(2)11(8)12(7-10(13)14)17(3,15)16/h4-6H,7H2,1-3H3,(H,13,14)