[3-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-ethyl-1-oxohexyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-ethylhexanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C24H32FNO5S/c1-4-6-9-20(5-2)24(27)26(15-16-30-3)18-19-8-7-10-22(17-19)31-32(28,29)23-13-11-21(25)12-14-23/h7-8,10-14,17,20H,4-6,9,15-16,18H2,1-3H3