[5-[4-(4-azanyl-3-fluoranyl-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-azanyl-3-fluoranyl-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [5-[4-(4-amino-3-fluoro-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-amino-3-fluorophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(4-amino-3-fluorophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(4-amino-3-fluoro-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzoxy-phenyl] ester Formula: C29H28FNO9S2 MolecularWeight: 617.662323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)N)F)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)N)F)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H28FNO9S2/c1-36-26-16-21(19-10-12-23(31)22(30)14-19)28(37-2)29(40-42(4,34)35)27(26)20-11-13-24(25(15-20)39-41(3,32)33)38-17-18-8-6-5-7-9-18/h5-16H,17,31H2,1-4H3