O5-methyl O1-propan-2-yl 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methyl-pentanedioate

Systemtic Name: O5-methyl O1-propan-2-yl 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methyl-pentanedioate Openeye Name: O1-isopropyl O5-methyl 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methyl-pentanedioate CAS Name: 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methylpentanedioic acid O5-methyl ester O1-propan-2-yl ester IUPAC Name: 5-O-methyl 1-O-propan-2-yl 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methylpentanedioate Traditional Name: 2-(4-chlorophenyl)sulfonyl-2-(2-cyanoethyl)-4-methyl-glutaric acid O1-isopropyl ester O5-methyl ester Formula: C19H24ClNO6S MolecularWeight: 429.91496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCC#N)(CC(C)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)OC(=O)C(CCC#N)(CC(C)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H24ClNO6S/c1-13(2)27-18(23)19(10-5-11-21,12-14(3)17(22)26-4)28(24,25)16-8-6-15(20)7-9-16/h6-9,13-14H,5,10,12H2,1-4H3