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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)NCC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H29FN2O3S/c1-5-16(4)23-15-17-8-11-19(24(6-2)7-3)14-21(17)27-28(25,26)20-12-9-18(22)10-13-20/h8-14,16,23H,5-7,15H2,1-4H3