5-[(2,6-dimethylphenyl)methyl]-4,7-diethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

Systemtic Name: 5-[(2,6-dimethylphenyl)methyl]-4,7-diethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole Openeye Name: 5-[(2,6-dimethylphenyl)methyl]-4,7-diethyl-2-(p-tolylsulfonyl)isoindoline CAS Name: 5-[(2,6-dimethylphenyl)methyl]-4,7-diethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole IUPAC Name: 5-[(2,6-dimethylphenyl)methyl]-4,7-diethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole Traditional Name: 5-(2,6-dimethylbenzyl)-4,7-diethyl-2-tosyl-isoindoline Formula: C28H33NO2S MolecularWeight: 447.63212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CC)CC4=C(C=CC=C4C)C

Isomeric SMILES

CCC1=CC(=C(C2=C1CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CC)CC4=C(C=CC=C4C)C

InChI

InChI=1S/C28H33NO2S/c1-6-22-15-23(16-26-20(4)9-8-10-21(26)5)25(7-2)28-18-29(17-27(22)28)32(30,31)24-13-11-19(3)12-14-24/h8-15H,6-7,16-18H2,1-5H3