[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(tert-butylsulfamoyl)benzoate CAS Name: 3-(tert-butylsulfamoyl)benzoic 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] 3-(tert-butylsulfamoyl)benzoate Traditional Name: 3-(tert-butylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-13(2)19(6,12-20)21-16(23)11-27-17(24)14-8-7-9-15(10-14)28(25,26)22-18(3,4)5/h7-10,13,22H,11H2,1-6H3,(H,21,23)/t19-/m0/s1