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

Systemtic Name: [3-[[decanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[decanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[capryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C26H36FNO5S MolecularWeight: 493.631143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO5S/c1-3-4-5-6-7-8-9-13-26(29)28(18-19-32-2)21-22-11-10-12-24(20-22)33-34(30,31)25-16-14-23(27)15-17-25/h10-12,14-17,20H,3-9,13,18-19,21H2,1-2H3