[4-[[butan-2-yl(2,2-diphenylethanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[butan-2-yl(2,2-diphenylethanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[butan-2-yl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2,2-diphenylacetyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C32H30F3NO4S MolecularWeight: 581.64511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=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

CCC(C)N(CC1=CC=C(C=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/c1-3-23(2)36(31(37)30(25-11-6-4-7-12-25)26-13-8-5-9-14-26)22-24-17-19-28(20-18-24)40-41(38,39)29-16-10-15-27(21-29)32(33,34)35/h4-21,23,30H,3,22H2,1-2H3