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

Systemtic Name: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-ethylhexanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2-ethyl-1-oxohexyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-ethylhexanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C25H34FNO4S MolecularWeight: 463.605163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO4S/c1-5-7-8-21(6-2)25(28)27(17-19(3)4)18-20-9-13-23(14-10-20)31-32(29,30)24-15-11-22(26)12-16-24/h9-16,19,21H,5-8,17-18H2,1-4H3