2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine Openeye Name: 2-(p-tolylsulfonyl)-N-(1,1,3,3-tetramethylbutyl)-3-[4-(trifluoromethyl)phenyl]isoindolin-1-imine CAS Name: 2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine Traditional Name: 1,1,3,3-tetramethylbutyl-[2-tosyl-3-[4-(trifluoromethyl)phenyl]isoindolin-1-ylidene]amine Formula: C30H33F3N2O2S MolecularWeight: 542.65543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3C2=NC(C)(C)CC(C)(C)C)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3C2=NC(C)(C)CC(C)(C)C)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C30H33F3N2O2S/c1-20-11-17-23(18-12-20)38(36,37)35-26(21-13-15-22(16-14-21)30(31,32)33)24-9-7-8-10-25(24)27(35)34-29(5,6)19-28(2,3)4/h7-18,26H,19H2,1-6H3