[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12F2N2O5S MolecularWeight: 346.306586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C(F)F

InChI

InChI=1S/C13H12F2N2O5S/c14-13(15)23(20,21)10-4-2-9(3-5-10)12(19)22-8-11(18)17-7-1-6-16/h2-5,13H,1,7-8H2,(H,17,18)