3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: 3-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonylpropionic acid Formula: C8H12N2O5S MolecularWeight: 248.25628

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)CS(=O)(=O)CCC(=O)O)C#N

Isomeric SMILES

C(CNC(=O)CS(=O)(=O)CCC(=O)O)C#N

InChI

InChI=1S/C8H12N2O5S/c9-3-1-4-10-7(11)6-16(14,15)5-2-8(12)13/h1-2,4-6H2,(H,10,11)(H,12,13)