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

Systemtic Name: [4-[3-azanyl-5-fluoranyl-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[3-amino-5-fluoro-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-amino-5-fluoro-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenyl] ester IUPAC Name: [4-[3-amino-5-fluoro-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-amino-5-fluoro-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methyl-phenyl]phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)F)C3=CC(=C(C=C3)OCC=C(C)C)OC)N

Isomeric SMILES

CC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)F)C3=CC(=C(C=C3)OCC=C(C)C)OC)N

InChI

InChI=1S/C26H28FNO5S/c1-16(2)12-13-32-23-11-8-19(14-24(23)31-4)25-22(27)15-21(17(3)26(25)28)18-6-9-20(10-7-18)33-34(5,29)30/h6-12,14-15H,13,28H2,1-5H3