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

Systemtic Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(2-methylpropylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-(diethylamino)-2-[(isobutylamino)methyl]phenyl] ester Formula: C21H29FN2O3S MolecularWeight: 408.529963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN2O3S/c1-5-24(6-2)19-10-7-17(15-23-14-16(3)4)21(13-19)27-28(25,26)20-11-8-18(22)9-12-20/h7-13,16,23H,5-6,14-15H2,1-4H3