3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-(cyanomethylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-(cyanomethylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(cyanomethylamino)-2-keto-ethyl]sulfonylphenyl]propionic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC(=O)NCC#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC(=O)NCC#N

InChI

InChI=1S/C13H14N2O5S/c14-7-8-15-12(16)9-21(19,20)11-4-1-10(2-5-11)3-6-13(17)18/h1-2,4-5H,3,6,8-9H2,(H,15,16)(H,17,18)