methyl 4-[[2-cyano-2-(phenylsulfonyl)cyclohexyl]methyl]benzoate

Systemtic Name: methyl 4-[[2-cyano-2-(phenylsulfonyl)cyclohexyl]methyl]benzoate Openeye Name: methyl 4-[[2-(benzenesulfonyl)-2-cyano-cyclohexyl]methyl]benzoate CAS Name: 4-[[2-(benzenesulfonyl)-2-cyanocyclohexyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzenesulfonyl)-2-cyanocyclohexyl]methyl]benzoate Traditional Name: 4-[(2-besyl-2-cyano-cyclohexyl)methyl]benzoic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2CCCCC2(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2CCCCC2(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-27-21(24)18-12-10-17(11-13-18)15-19-7-5-6-14-22(19,16-23)28(25,26)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-15H2,1H3