2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)acetic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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