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

Systemtic Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C21H24F3NO4S MolecularWeight: 443.47977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F3NO4S/c1-14(2)20(26)25(15(3)4)13-16-7-5-9-18(11-16)29-30(27,28)19-10-6-8-17(12-19)21(22,23)24/h5-12,14-15H,13H2,1-4H3