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

Systemtic Name: [5-(diethylamino)-2-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(2-oxolanylmethylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(oxolan-2-ylmethylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(tetrahydrofurfurylamino)methyl]phenyl] ester Formula: C22H29FN2O4S MolecularWeight: 436.540063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O4S/c1-3-25(4-2)19-10-7-17(15-24-16-20-6-5-13-28-20)22(14-19)29-30(26,27)21-11-8-18(23)9-12-21/h7-12,14,20,24H,3-6,13,15-16H2,1-2H3