[3-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=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)18-31-22-8-4-3-5-9-22)17-20-7-6-10-23(15-20)32-33(29,30)24-13-11-21(26)12-14-24/h3-15,19H,16-18H2,1-2H3