[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] ester IUPAC Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

C[C@H](C1=NC(=NO1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H17N3O5S/c1-14(19-22-18(23-28-19)16-5-3-2-4-6-16)27-20(24)17-9-7-15(8-10-17)13-29(25,26)12-11-21/h2-10,14H,12-13H2,1H3/t14-/m1/s1