[2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C19H22FNO5S MolecularWeight: 395.445083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2CCCO2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2CCCO2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FNO5S/c1-24-18-9-4-14(12-21-13-16-3-2-10-25-16)11-19(18)26-27(22,23)17-7-5-15(20)6-8-17/h4-9,11,16,21H,2-3,10,12-13H2,1H3