2-[4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonylphenyl]acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC(=O)NCCC#N

InChI

InChI=1S/C13H14N2O5S/c14-6-1-7-15-12(16)9-21(19,20)11-4-2-10(3-5-11)8-13(17)18/h2-5H,1,7-9H2,(H,15,16)(H,17,18)