(3aS,6R)-7-ethyl-6-methyl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole

Systemtic Name: (3aS,6R)-7-ethyl-6-methyl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole Openeye Name: (3aS,6R)-2-(benzenesulfonyl)-7-ethyl-6-methyl-1,3,3a,6-tetrahydroisoindole CAS Name: (3aS,6R)-2-(benzenesulfonyl)-7-ethyl-6-methyl-1,3,3a,6-tetrahydroisoindole IUPAC Name: (3aS,6R)-2-(benzenesulfonyl)-7-ethyl-6-methyl-1,3,3a,6-tetrahydroisoindole Traditional Name: (3aS,6R)-2-besyl-7-ethyl-6-methyl-1,3,3a,6-tetrahydroisoindole Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CN(CC2C=CC1C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2CN(C[C@H]2C=C[C@H]1C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO2S/c1-3-16-13(2)9-10-14-11-18(12-17(14)16)21(19,20)15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3/t13-,14-/m1/s1