[4-[4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(2-amino-2-oxo-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(2-amino-2-oxoethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(2-amino-2-oxoethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(2-amino-2-keto-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C25H27NO13S3 MolecularWeight: 645.67578

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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)OCC(=O)N)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)OCC(=O)N)OS(=O)(=O)C

InChI

InChI=1S/C25H27NO13S3/c1-34-21-13-18(15-6-9-17(10-7-15)37-40(3,28)29)24(35-2)25(39-42(5,32)33)23(21)16-8-11-19(36-14-22(26)27)20(12-16)38-41(4,30)31/h6-13H,14H2,1-5H3,(H2,26,27)