[4-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2-ethyl-1-oxohexyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H32FNO5S MolecularWeight: 465.577983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CC)C(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C24H32FNO5S/c1-4-6-7-20(5-2)24(27)26(16-17-30-3)18-19-8-12-22(13-9-19)31-32(28,29)23-14-10-21(25)11-15-23/h8-15,20H,4-7,16-18H2,1-3H3