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

Systemtic Name: (3aR,6S)-7-bromanyl-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole Openeye Name: (3aR,6S)-7-bromo-6-methyl-2-(p-tolylsulfonyl)-1,3,3a,6-tetrahydroisoindole CAS Name: (3aR,6S)-7-bromo-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole IUPAC Name: (3aR,6S)-7-bromo-6-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,6-tetrahydroisoindole Traditional Name: (3aR,6S)-7-bromo-6-methyl-2-tosyl-1,3,3a,6-tetrahydroisoindole Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2CN(CC2=C1Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C=C[C@H]2CN(CC2=C1Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H18BrNO2S/c1-11-3-7-14(8-4-11)21(19,20)18-9-13-6-5-12(2)16(17)15(13)10-18/h3-8,12-13H,9-10H2,1-2H3/t12-,13-/m0/s1