[(1R)-1-cyanoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionic acid [(1R)-1-cyanoethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20N2O6S/c1-14(13-21)28-20(23)17(11-15-5-3-2-4-6-15)22-29(24,25)16-7-8-18-19(12-16)27-10-9-26-18/h2-8,12,14,17,22H,9-11H2,1H3/t14-,17+/m1/s1