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

Systemtic Name: [3-[[butan-2-yl(ethanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[acetyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[acetyl(butan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(butan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[acetyl(sec-butyl)amino]methyl]phenyl] ester Formula: C20H22F3NO4S MolecularWeight: 429.45319

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3NO4S/c1-4-14(2)24(15(3)25)13-16-7-5-9-18(11-16)28-29(26,27)19-10-6-8-17(12-19)20(21,22)23/h5-12,14H,4,13H2,1-3H3