[3-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=C(C=C3)F

InChI

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