2-[methyl-(2-methylsulfonylphenyl)amino]ethanoic acid

Systemtic Name: 2-[methyl-(2-methylsulfonylphenyl)amino]ethanoic acid Openeye Name: 2-(N-methyl-2-methylsulfonyl-anilino)acetic acid CAS Name: 2-(N-methyl-2-methylsulfonylanilino)acetic acid IUPAC Name: 2-(N-methyl-2-methylsulfonylanilino)acetic acid Traditional Name: 2-(2-mesyl-N-methyl-anilino)acetic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CN(CC(=O)O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C10H13NO4S/c1-11(7-10(12)13)8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H,12,13)