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

Systemtic Name: [4-[[phenylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[isopropyl(phenylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[anilino(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[phenylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[isopropyl(phenylcarbamoyl)amino]methyl]phenyl] ester Formula: C24H23F3N2O4S MolecularWeight: 492.51063

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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)NC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H23F3N2O4S/c1-17(2)29(23(30)28-20-8-4-3-5-9-20)16-18-11-13-21(14-12-18)33-34(31,32)22-10-6-7-19(15-22)24(25,26)27/h3-15,17H,16H2,1-2H3,(H,28,30)