[2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CNCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CNCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c1-26-19-10-12-20(13-11-19)28(24,25)27-21-5-3-2-4-17(21)15-23-14-16-6-8-18(22)9-7-16/h2-13,23H,14-15H2,1H3