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

Systemtic Name: [4-[4-(4-azanyl-3-fluoranyl-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-amino-3-fluoro-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-amino-3-fluorophenyl)-2,5-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[4-(4-amino-3-fluorophenyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-amino-3-fluoro-phenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)N)F

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)N)F

InChI

InChI=1S/C21H20FNO5S/c1-26-20-12-17(14-6-9-19(23)18(22)10-14)21(27-2)11-16(20)13-4-7-15(8-5-13)28-29(3,24)25/h4-12H,23H2,1-3H3