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

Systemtic Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] ester Formula: C20H27FN2O4S MolecularWeight: 410.502783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CNCCOC)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CNCCOC)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H27FN2O4S/c1-4-23(5-2)18-9-6-16(15-22-12-13-26-3)20(14-18)27-28(24,25)19-10-7-17(21)8-11-19/h6-11,14,22H,4-5,12-13,15H2,1-3H3