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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(isopropylsulfamoyl)benzoate CAS Name: 3-(propan-2-ylsulfamoyl)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-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-12(2)18(5,11-19)20-16(22)10-26-17(23)14-7-6-8-15(9-14)27(24,25)21-13(3)4/h6-9,12-13,21H,10H2,1-5H3,(H,20,22)/t18-/m0/s1