[3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(hexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caproyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H26FNO5S MolecularWeight: 459.530343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C24H26FNO5S/c1-2-3-4-10-24(27)26(18-22-9-6-15-30-22)17-19-7-5-8-21(16-19)31-32(28,29)23-13-11-20(25)12-14-23/h5-9,11-16H,2-4,10,17-18H2,1H3