phenyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butanoate

Systemtic Name: phenyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butanoate Openeye Name: phenyl 2-(cyclohexylcarbamoyl)-4-phenyl-2-(p-tolylsulfonyloxymethyl)butanoate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylbutanoic acid phenyl ester IUPAC Name: phenyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylbutanoate Traditional Name: 2-(cyclohexylcarbamoyl)-4-phenyl-2-(tosyloxymethyl)butyric acid phenyl ester Formula: C31H35NO6S MolecularWeight: 549.6777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2)(C(=O)NC3CCCCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2)(C(=O)NC3CCCCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C31H35NO6S/c1-24-17-19-28(20-18-24)39(35,36)37-23-31(22-21-25-11-5-2-6-12-25,29(33)32-26-13-7-3-8-14-26)30(34)38-27-15-9-4-10-16-27/h2,4-6,9-12,15-20,26H,3,7-8,13-14,21-23H2,1H3,(H,32,33)