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

Systemtic Name: [3-[[butan-2-yl(phenylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[phenylcarbamoyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[anilino(oxo)methyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(phenylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[phenylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H25F3N2O4S MolecularWeight: 506.53721

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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)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25F3N2O4S/c1-3-18(2)30(24(31)29-21-11-5-4-6-12-21)17-19-9-7-13-22(15-19)34-35(32,33)23-14-8-10-20(16-23)25(26,27)28/h4-16,18H,3,17H2,1-2H3,(H,29,31)