2-[(2-ethyl-6-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(2-ethyl-6-methyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(2-ethyl-N-mesyl-6-methyl-anilino)acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(CC(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1N(CC(=O)O)S(=O)(=O)C)C

InChI

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