methyl 2-cyano-4-cyclohexyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-cyclohexyl-3-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-cyclohexyl-3-methylsulfonyl-benzoate CAS Name: 2-cyano-4-cyclohexyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-cyclohexyl-3-methylsulfonylbenzoate Traditional Name: 2-cyano-4-cyclohexyl-3-mesyl-benzoic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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