[4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CNCC2=CC=C(C=C2)F

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CNCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FNO3S/c1-2-22(19,20)21-16-9-5-14(6-10-16)12-18-11-13-3-7-15(17)8-4-13/h3-10,18H,2,11-12H2,1H3