[3-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[2,2-dimethylpropanoyl(isopropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2,2-dimethyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isopropyl(pivaloyl)amino]methyl]phenyl] ester Formula: C22H26F3NO4S MolecularWeight: 457.50635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C)(C)C

InChI

InChI=1S/C22H26F3NO4S/c1-15(2)26(20(27)21(3,4)5)14-16-8-6-10-18(12-16)30-31(28,29)19-11-7-9-17(13-19)22(23,24)25/h6-13,15H,14H2,1-5H3