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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO5S/c1-3-4-5-6-7-8-9-10-26(29)28(19-20-32-2)21-22-11-15-24(16-12-22)33-34(30,31)25-17-13-23(27)14-18-25/h11-18H,3-10,19-21H2,1-2H3