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

Systemtic Name: [3-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caprylyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H30FNO5S MolecularWeight: 487.583503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FNO5S/c1-2-3-4-5-6-12-26(29)28(20-24-11-8-17-32-24)19-21-9-7-10-23(18-21)33-34(30,31)25-15-13-22(27)14-16-25/h7-11,13-18H,2-6,12,19-20H2,1H3