2-(4-methylphenyl)sulfonyl-3-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine Openeye Name: 2-(p-tolylsulfonyl)-N-(1,1,3,3-tetramethylbutyl)-3-(2-thienyl)isoindolin-1-imine CAS Name: 2-(4-methylphenyl)sulfonyl-3-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine Traditional Name: 1,1,3,3-tetramethylbutyl-[3-(2-thienyl)-2-tosyl-isoindolin-1-ylidene]amine Formula: C27H32N2O2S2 MolecularWeight: 480.68518

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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=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3C2=NC(C)(C)CC(C)(C)C)C4=CC=CS4

InChI

InChI=1S/C27H32N2O2S2/c1-19-13-15-20(16-14-19)33(30,31)29-24(23-12-9-17-32-23)21-10-7-8-11-22(21)25(29)28-27(5,6)18-26(2,3)4/h7-17,24H,18H2,1-6H3