[3-[[2,2-diphenylethanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[2,2-diphenylethanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methylpropyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C32H30F3NO4S MolecularWeight: 581.64511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H30F3NO4S/c1-23(2)21-36(31(37)30(25-12-5-3-6-13-25)26-14-7-4-8-15-26)22-24-11-9-17-28(19-24)40-41(38,39)29-18-10-16-27(20-29)32(33,34)35/h3-20,23,30H,21-22H2,1-2H3