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

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonylbenzoic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S/c13-5-2-6-14-11(15)8-20(18,19)10-4-1-3-9(7-10)12(16)17/h1,3-4,7H,2,6,8H2,(H,14,15)(H,16,17)