2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfonylpropanoic acid

Systemtic Name: 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfonylpropanoic acid Openeye Name: 2-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 2-[1-(2-furanylmethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid IUPAC Name: 2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]sulfonylpropionic acid Formula: C11H15NO6S MolecularWeight: 289.3049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)S(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)S(=O)(=O)C(C)C(=O)O

InChI

InChI=1S/C11H15NO6S/c1-7(19(16,17)8(2)11(14)15)10(13)12-6-9-4-3-5-18-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)