[4-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H26FNO5S/c1-19(2)16-27(25(28)18-31-22-6-4-3-5-7-22)17-20-8-12-23(13-9-20)32-33(29,30)24-14-10-21(26)11-15-24/h3-15,19H,16-18H2,1-2H3