[2-methoxy-5-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO6S MolecularWeight: 501.567023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28FNO6S/c1-19(2)16-28(26(29)18-33-22-7-5-4-6-8-22)17-20-9-14-24(32-3)25(15-20)34-35(30,31)23-12-10-21(27)11-13-23/h4-15,19H,16-18H2,1-3H3