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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(propylsulfamoyl)benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(propylsulfamoyl)benzoate CAS Name: 3-(propylsulfamoyl)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] 3-(propylsulfamoyl)benzoate Traditional Name: 3-(propylsulfamoyl)benzoic acid [2-[[(1S)-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:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C18H25N3O5S/c1-5-9-20-27(24,25)15-8-6-7-14(10-15)17(23)26-11-16(22)21-18(4,12-19)13(2)3/h6-8,10,13,20H,5,9,11H2,1-4H3,(H,21,22)/t18-/m1/s1