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

Systemtic Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(pelargonyl)amino]methyl]phenyl] ester Formula: C25H34FNO5S MolecularWeight: 479.604563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO5S/c1-3-4-5-6-7-8-12-25(28)27(17-18-31-2)20-21-10-9-11-23(19-21)32-33(29,30)24-15-13-22(26)14-16-24/h9-11,13-16,19H,3-8,12,17-18,20H2,1-2H3