[4-[4-(4-azanyl-3-fluoranyl-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(4-azanyl-3-fluoranyl-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-amino-3-fluoro-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-amino-3-fluorophenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(4-amino-3-fluorophenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-amino-3-fluoro-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C22H22FNO7S2 MolecularWeight: 495.540983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H22FNO7S2/c1-13-11-17(14-5-8-16(9-6-14)30-32(3,25)26)21(29-2)22(31-33(4,27)28)20(13)15-7-10-19(24)18(23)12-15/h5-12H,24H2,1-4H3