[(1R)-1-cyanoethyl] (3R)-3-(4-chlorophenyl)-3-(phenylsulfonylamino)propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (3R)-3-(4-chlorophenyl)-3-(phenylsulfonylamino)propanoate Openeye Name: [(1R)-1-cyanoethyl] (3R)-3-(benzenesulfonamido)-3-(4-chlorophenyl)propanoate CAS Name: (3R)-3-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (3R)-3-(benzenesulfonamido)-3-(4-chlorophenyl)propanoate Traditional Name: (3R)-3-(benzenesulfonamido)-3-(4-chlorophenyl)propionic acid [(1R)-1-cyanoethyl] ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CC(C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-13(12-20)25-18(22)11-17(14-7-9-15(19)10-8-14)21-26(23,24)16-5-3-2-4-6-16/h2-10,13,17,21H,11H2,1H3/t13-,17-/m1/s1