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

Systemtic Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caprylyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H32FNO5S MolecularWeight: 465.577983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32FNO5S/c1-3-4-5-6-7-11-24(27)26(16-17-30-2)19-20-9-8-10-22(18-20)31-32(28,29)23-14-12-21(25)13-15-23/h8-10,12-15,18H,3-7,11,16-17,19H2,1-2H3