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

Systemtic Name: [4-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[2-(4-fluorophenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-fluorophenyl)acetyl]-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]phenyl] ester Formula: C25H23F4NO4S MolecularWeight: 509.513033

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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)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H23F4NO4S/c1-17(2)30(24(31)14-18-6-10-21(26)11-7-18)16-19-8-12-22(13-9-19)34-35(32,33)23-5-3-4-20(15-23)25(27,28)29/h3-13,15,17H,14,16H2,1-2H3