3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylpropanoate IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonylpropionate Formula: C8H11N2O5S- MolecularWeight: 247.24834

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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)/p-1