tert-butyl 4-[2-(methylsulfonylamino)-6-phenylmethoxy-phenyl]carbonyl-3,5-bis(phenylmethoxy)benzoate

Systemtic Name: tert-butyl 4-[2-(methylsulfonylamino)-6-phenylmethoxy-phenyl]carbonyl-3,5-bis(phenylmethoxy)benzoate Openeye Name: tert-butyl 3,5-dibenzyloxy-4-[2-benzyloxy-6-(methanesulfonamido)benzoyl]benzoate CAS Name: 4-[[2-(methanesulfonamido)-6-phenylmethoxyphenyl]-oxomethyl]-3,5-bis(phenylmethoxy)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(methanesulfonamido)-6-phenylmethoxybenzoyl]-3,5-bis(phenylmethoxy)benzoate Traditional Name: 3,5-dibenzoxy-4-[2-benzoxy-6-(methanesulfonamido)benzoyl]benzoic acid tert-butyl ester Formula: C40H39NO8S MolecularWeight: 693.80456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3OCC4=CC=CC=C4)NS(=O)(=O)C)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3OCC4=CC=CC=C4)NS(=O)(=O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C40H39NO8S/c1-40(2,3)49-39(43)31-23-34(47-26-29-17-10-6-11-18-29)37(35(24-31)48-27-30-19-12-7-13-20-30)38(42)36-32(41-50(4,44)45)21-14-22-33(36)46-25-28-15-8-5-9-16-28/h5-24,41H,25-27H2,1-4H3