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

Systemtic Name: [4-[[cyclopentylcarbonyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[cyclopentyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H26F3NO4S MolecularWeight: 469.51705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3CCCC3

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3CCCC3

InChI

InChI=1S/C23H26F3NO4S/c1-16(2)27(22(28)18-6-3-4-7-18)15-17-10-12-20(13-11-17)31-32(29,30)21-9-5-8-19(14-21)23(24,25)26/h5,8-14,16,18H,3-4,6-7,15H2,1-2H3