[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-22(2)19(23)18(16-6-4-3-5-7-16)27-20(24)17-10-8-15(9-11-17)14-28(25,26)13-12-21/h3-11,18H,13-14H2,1-2H3/t18-/m0/s1