[3-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C26H26F3NO5S MolecularWeight: 521.54855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26F3NO5S/c1-19(2)16-30(25(31)18-34-22-10-4-3-5-11-22)17-20-8-6-12-23(14-20)35-36(32,33)24-13-7-9-21(15-24)26(27,28)29/h3-15,19H,16-18H2,1-2H3