[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H16N2O5S/c1-22(19,20)10-11-4-2-5-12(8-11)14(18)21-9-13(17)16-7-3-6-15/h2,4-5,8H,3,7,9-10H2,1H3,(H,16,17)