2-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[1-(methylamino)-1-oxopropan-2-yl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[1-(methylamino)-1-oxopropan-2-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonylphenyl]acetic acid Formula: C12H15NO5S MolecularWeight: 285.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8(12(16)13-2)19(17,18)10-5-3-9(4-6-10)7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)