2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]ethanoic acid Openeye Name: 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid CAS Name: 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)O)C)C

InChI

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