4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoate

Systemtic Name: 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoate Openeye Name: 4-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonylbenzoate CAS Name: 4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylbenzoate IUPAC Name: 4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylbenzoate Traditional Name: 4-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonylbenzoate Formula: C12H11N2O5S- MolecularWeight: 295.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC(=O)NCCC#N

InChI

InChI=1S/C12H12N2O5S/c13-6-1-7-14-11(15)8-20(18,19)10-4-2-9(3-5-10)12(16)17/h2-5H,1,7-8H2,(H,14,15)(H,16,17)/p-1