(8aS)-5-hexyl-6-(4-methylphenyl)sulfonyl-1,2,3,7,8,8a-hexahydroindolizine

Systemtic Name: (8aS)-5-hexyl-6-(4-methylphenyl)sulfonyl-1,2,3,7,8,8a-hexahydroindolizine Openeye Name: (8aS)-5-hexyl-6-(p-tolylsulfonyl)-1,2,3,7,8,8a-hexahydroindolizine CAS Name: (8aS)-5-hexyl-6-(4-methylphenyl)sulfonyl-1,2,3,7,8,8a-hexahydroindolizine IUPAC Name: (8aS)-5-hexyl-6-(4-methylphenyl)sulfonyl-1,2,3,7,8,8a-hexahydroindolizine Traditional Name: (8aS)-5-hexyl-6-tosyl-1,2,3,7,8,8a-hexahydroindolizine Formula: C21H31NO2S MolecularWeight: 361.54134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(CCC2N1CCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC1=C(CC[C@H]2N1CCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31NO2S/c1-3-4-5-6-9-20-21(15-12-18-8-7-16-22(18)20)25(23,24)19-13-10-17(2)11-14-19/h10-11,13-14,18H,3-9,12,15-16H2,1-2H3/t18-/m0/s1