[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OC(C)C(=O)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C17H23N3O5S/c1-4-5-9-26(23,24)20-12(2)17(22)25-13(3)16(21)19-15-8-6-7-14(10-15)11-18/h6-8,10,12-13,20H,4-5,9H2,1-3H3,(H,19,21)/t12-,13+/m0/s1