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

Systemtic Name: [4-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO5S/c1-3-4-5-6-7-8-9-25(28)27(18-19-31-2)20-21-10-14-23(15-11-21)32-33(29,30)24-16-12-22(26)13-17-24/h10-17H,3-9,18-20H2,1-2H3