methyl 2-(cyclohexylcarbamoyl)-2-(methylsulfonyloxymethyl)-4-phenyl-butanoate

Systemtic Name: methyl 2-(cyclohexylcarbamoyl)-2-(methylsulfonyloxymethyl)-4-phenyl-butanoate Openeye Name: methyl 2-(cyclohexylcarbamoyl)-2-(methylsulfonyloxymethyl)-4-phenyl-butanoate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-2-(methylsulfonyloxymethyl)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexylcarbamoyl)-2-(methylsulfonyloxymethyl)-4-phenylbutanoate Traditional Name: 2-(cyclohexylcarbamoyl)-2-(methylsulfonyloxymethyl)-4-phenyl-butyric acid methyl ester Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)(COS(=O)(=O)C)C(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)(COS(=O)(=O)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H29NO6S/c1-26-19(23)20(15-27-28(2,24)25,14-13-16-9-5-3-6-10-16)18(22)21-17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3,(H,21,22)