[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-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)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC)F

Isomeric SMILES

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

InChI

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