[3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isovaleryl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H28F3NO4S MolecularWeight: 471.53293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3NO4S/c1-5-17(4)27(22(28)12-16(2)3)15-18-8-6-10-20(13-18)31-32(29,30)21-11-7-9-19(14-21)23(24,25)26/h6-11,13-14,16-17H,5,12,15H2,1-4H3