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

Systemtic Name: [4-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[hydrocinnamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H26FNO5S/c1-31-18-17-27(25(28)16-9-20-5-3-2-4-6-20)19-21-7-12-23(13-8-21)32-33(29,30)24-14-10-22(26)11-15-24/h2-8,10-15H,9,16-19H2,1H3