2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoic acid Openeye Name: 2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(N-mesyl-2,4,6-trimethyl-anilino)acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-8-5-9(2)12(10(3)6-8)13(7-11(14)15)18(4,16)17/h5-6H,7H2,1-4H3,(H,14,15)