5-methyl-2-(trifluoromethylsulfonyl)-1,3,3a,6-tetrahydrobenzo[de]isoquinoline

Systemtic Name: 5-methyl-2-(trifluoromethylsulfonyl)-1,3,3a,6-tetrahydrobenzo[de]isoquinoline Openeye Name: 5-methyl-2-(trifluoromethylsulfonyl)-1,3,3a,6-tetrahydrobenzo[de]isoquinoline CAS Name: 5-methyl-2-(trifluoromethylsulfonyl)-1,3,3a,6-tetrahydrobenzo[de]isoquinoline IUPAC Name: 5-methyl-2-(trifluoromethylsulfonyl)-1,3,3a,6-tetrahydrobenzo[de]isoquinoline Traditional Name: 5-methyl-2-triflyl-1,3,3a,6-tetrahydrobenzo[de]isoquinoline Formula: C14H14F3NO2S MolecularWeight: 317.32667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2CN(CC3=CC=CC(=C23)C1)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC2CN(CC3=CC=CC(=C23)C1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H14F3NO2S/c1-9-5-10-3-2-4-11-7-18(8-12(6-9)13(10)11)21(19,20)14(15,16)17/h2-4,6,12H,5,7-8H2,1H3