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

Systemtic Name: [4-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

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

InChI

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