[4-[3-acetamido-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3-acetamido-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[3-acetamido-4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-acetamido-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[3-acetamido-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-acetamido-4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C31H31NO10S2 MolecularWeight: 641.70854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC=C(C=C4)OS(=O)(=O)C)OC

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC=C(C=C4)OS(=O)(=O)C)OC

InChI

InChI=1S/C31H31NO10S2/c1-20(33)32-30-29(23-13-16-26(27(17-23)42-44(5,36)37)40-19-21-9-7-6-8-10-21)28(38-2)18-25(31(30)39-3)22-11-14-24(15-12-22)41-43(4,34)35/h6-18H,19H2,1-5H3,(H,32,33)