ethyl 4-cyano-4-deuterio-2,2-dimethyl-3-phenyl-4-(phenylsulfonyl)butanoate

Systemtic Name: ethyl 4-cyano-4-deuterio-2,2-dimethyl-3-phenyl-4-(phenylsulfonyl)butanoate Openeye Name: ethyl 4-(benzenesulfonyl)-4-cyano-4-deuterio-2,2-dimethyl-3-phenyl-butanoate CAS Name: 4-(benzenesulfonyl)-4-cyano-4-deuterio-2,2-dimethyl-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-4-cyano-4-deuterio-2,2-dimethyl-3-phenylbutanoate Traditional Name: 4-besyl-4-cyano-4-deuterio-2,2-dimethyl-3-phenyl-butyric acid ethyl ester Formula: C21H23NO4S MolecularWeight: 386.482782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C1=CC=CC=C1)C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C(C#N)(C(C1=CC=CC=C1)C(C)(C)C(=O)OCC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-4-26-20(23)21(2,3)19(16-11-7-5-8-12-16)18(15-22)27(24,25)17-13-9-6-10-14-17/h5-14,18-19H,4H2,1-3H3/i18D