[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-10(2)16(3,9-18)20-14(21)8-25-15(22)11-5-6-12(17)13(7-11)26(23,24)19-4/h5-7,10,19H,8H2,1-4H3,(H,20,21)/t16-/m1/s1