phenyl 2-(tert-butylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butanoate

Systemtic Name: phenyl 2-(tert-butylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenyl-butanoate Openeye Name: phenyl 2-(tert-butylcarbamoyl)-4-phenyl-2-(p-tolylsulfonyloxymethyl)butanoate CAS Name: 2-[(tert-butylamino)-oxomethyl]-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylbutanoic acid phenyl ester IUPAC Name: phenyl 2-(tert-butylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylbutanoate Traditional Name: 2-(tert-butylcarbamoyl)-4-phenyl-2-(tosyloxymethyl)butyric acid phenyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2)(C(=O)NC(C)(C)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2)(C(=O)NC(C)(C)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C29H33NO6S/c1-22-15-17-25(18-16-22)37(33,34)35-21-29(26(31)30-28(2,3)4,20-19-23-11-7-5-8-12-23)27(32)36-24-13-9-6-10-14-24/h5-18H,19-21H2,1-4H3,(H,30,31)