[4-[2-(tert-butylamino)-1-methylsulfonyloxy-ethyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(tert-butylamino)-1-methylsulfonyloxy-ethyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate Openeye Name: [4-[2-(tert-butylamino)-1-methylsulfonyloxy-ethyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-methylsulfonyloxy-ethyl]-2-p-toluoyloxy-phenyl] ester Formula: C29H33NO7S MolecularWeight: 539.63982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OS(=O)(=O)C)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OS(=O)(=O)C)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H33NO7S/c1-19-7-11-21(12-8-19)27(31)35-24-16-15-23(26(37-38(6,33)34)18-30-29(3,4)5)17-25(24)36-28(32)22-13-9-20(2)10-14-22/h7-17,26,30H,18H2,1-6H3