[4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(1H-benzimidazol-2-ylmethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C31H30N2O12S3 MolecularWeight: 718.7711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=NC5=CC=CC=C5N4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=NC5=CC=CC=C5N4)OS(=O)(=O)C

InChI

InChI=1S/C31H30N2O12S3/c1-40-27-17-22(19-10-13-21(14-11-19)43-46(3,34)35)30(41-2)31(45-48(5,38)39)29(27)20-12-15-25(26(16-20)44-47(4,36)37)42-18-28-32-23-8-6-7-9-24(23)33-28/h6-17H,18H2,1-5H3,(H,32,33)