[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H19FN2O5S MolecularWeight: 418.438663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H19FN2O5S/c1-2-23(18-9-7-17(21)8-10-18)19(24)13-28-20(25)16-5-3-15(4-6-16)14-29(26,27)12-11-22/h3-10H,2,12-14H2,1H3