methyl 2-cyano-4-cyclohexyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-cyclohexyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-cyclohexyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-cyclohexyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-cyclohexyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-cyclohexyl-5-mesyl-benzoic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)C2CCCCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)C2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C16H19NO4S/c1-21-16(18)14-9-15(22(2,19)20)13(8-12(14)10-17)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3