[5-[3,6-dimethoxy-4-[1-(4-methylphenyl)sulfonylindol-5-yl]-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[3,6-dimethoxy-4-[1-(4-methylphenyl)sulfonylindol-5-yl]-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[3,6-dimethoxy-2-methylsulfonyloxy-4-[1-(p-tolylsulfonyl)indol-5-yl]phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3,6-dimethoxy-4-[1-(4-methylphenyl)sulfonyl-5-indolyl]-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[3,6-dimethoxy-4-[1-(4-methylphenyl)sulfonylindol-5-yl]-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(1-tosylindol-5-yl)phenyl]phenyl] ester Formula: C38H35NO11S3 MolecularWeight: 777.8796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)C4=CC(=C(C(=C4OC)OS(=O)(=O)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OS(=O)(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)C4=CC(=C(C(=C4OC)OS(=O)(=O)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OS(=O)(=O)C)OC

InChI

InChI=1S/C38H35NO11S3/c1-25-11-15-30(16-12-25)53(44,45)39-20-19-28-21-27(13-17-32(28)39)31-23-35(46-2)36(38(37(31)47-3)50-52(5,42)43)29-14-18-33(34(22-29)49-51(4,40)41)48-24-26-9-7-6-8-10-26/h6-23H,24H2,1-5H3