[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H22FN3O5S MolecularWeight: 399.437083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)F

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C17H22FN3O5S/c1-11(2)17(3,10-19)20-15(22)9-26-16(23)13-8-12(6-7-14(13)18)27(24,25)21(4)5/h6-8,11H,9H2,1-5H3,(H,20,22)/t17-/m0/s1