(3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,6-tetrahydroisoindole

Systemtic Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,6-tetrahydroisoindole Openeye Name: (3aR,6S)-6-methyl-7-phenyl-2-(p-tolylsulfonyl)-1,3,3a,6-tetrahydroisoindole CAS Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,6-tetrahydroisoindole IUPAC Name: (3aR,6S)-6-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,6-tetrahydroisoindole Traditional Name: (3aR,6S)-6-methyl-7-phenyl-2-tosyl-1,3,3a,6-tetrahydroisoindole Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2CN(CC2=C1C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1C=C[C@H]2CN(CC2=C1C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H23NO2S/c1-16-8-12-20(13-9-16)26(24,25)23-14-19-11-10-17(2)22(21(19)15-23)18-6-4-3-5-7-18/h3-13,17,19H,14-15H2,1-2H3/t17-,19-/m0/s1