[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28FN3O5S MolecularWeight: 453.527523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H28FN3O5S/c1-4-25(5-2)31(28,29)16-9-10-18(22)17(13-16)20(27)30-15(3)19(26)24-21(14-23)11-7-6-8-12-21/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,24,26)/t15-/m1/s1