[3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H28F3NO5S MolecularWeight: 487.53233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3NO5S/c1-22(2,3)15-21(28)27(11-12-31-4)16-17-7-5-9-19(13-17)32-33(29,30)20-10-6-8-18(14-20)23(24,25)26/h5-10,13-14H,11-12,15-16H2,1-4H3