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

Systemtic Name: [4-[4-(4-azanyl-3-fluoranyl-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-amino-3-fluoro-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-amino-3-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(4-amino-3-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-amino-3-fluoro-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C22H22FNO8S2 MolecularWeight: 511.540383

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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)N)F

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)N)F

InChI

InChI=1S/C22H22FNO8S2/c1-29-19-12-16(13-5-8-15(9-6-13)31-33(3,25)26)21(30-2)22(32-34(4,27)28)20(19)14-7-10-18(24)17(23)11-14/h5-12H,24H2,1-4H3