(3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole

Systemtic Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole Openeye Name: (3aR,6S)-6-methyl-2-(p-tolylsulfonyl)-1,3,3a,6-tetrahydroisoindole CAS Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole IUPAC Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole Traditional Name: (3aR,6S)-6-methyl-2-tosyl-1,3,3a,6-tetrahydroisoindole Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2CN(CC2=C1)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C=C[C@H]2CN(CC2=C1)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H19NO2S/c1-12-4-7-16(8-5-12)20(18,19)17-10-14-6-3-13(2)9-15(14)11-17/h3-9,13-14H,10-11H2,1-2H3/t13-,14-/m0/s1