[5-(4-dimethylaminophenyl)-2-(3-fluoranyl-4-oxidanyl-phenyl)-3-methoxy-6-methyl-phenyl] methanesulfonate

Systemtic Name: [5-(4-dimethylaminophenyl)-2-(3-fluoranyl-4-oxidanyl-phenyl)-3-methoxy-6-methyl-phenyl] methanesulfonate Openeye Name: [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-hydroxy-phenyl)-3-methoxy-6-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-hydroxyphenyl)-3-methoxy-6-methylphenyl] ester IUPAC Name: [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-hydroxyphenyl)-3-methoxy-6-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-hydroxy-phenyl)-3-methoxy-6-methyl-phenyl] ester Formula: C23H24FNO5S MolecularWeight: 445.503763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO5S/c1-14-18(15-6-9-17(10-7-15)25(2)3)13-21(29-4)22(23(14)30-31(5,27)28)16-8-11-20(26)19(24)12-16/h6-13,26H,1-5H3