7-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]phenyl]sulfonyl-N,N,3-trimethyl-1,2,4,5-tetrahydro-3-benzazepin-8-amine

Systemtic Name: 7-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]phenyl]sulfonyl-N,N,3-trimethyl-1,2,4,5-tetrahydro-3-benzazepin-8-amine Openeye Name: 7-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]sulfonyl-N,N,3-trimethyl-1,2,4,5-tetrahydro-3-benzazepin-8-amine CAS Name: 7-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]sulfonyl-N,N,3-trimethyl-1,2,4,5-tetrahydro-3-benzazepin-8-amine IUPAC Name: 7-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]sulfonyl-N,N,3-trimethyl-1,2,4,5-tetrahydro-3-benzazepin-8-amine Traditional Name: [7-[4-[2-fluoro-5-(trifluoromethyl)benzyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl]-dimethyl-amine Formula: C27H28F4N2O2S MolecularWeight: 520.582033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(C=C3)CC4=C(C=CC(=C4)C(F)(F)F)F)N(C)C

Isomeric SMILES

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(C=C3)CC4=C(C=CC(=C4)C(F)(F)F)F)N(C)C

InChI

InChI=1S/C27H28F4N2O2S/c1-32(2)25-16-19-10-12-33(3)13-11-20(19)17-26(25)36(34,35)23-7-4-18(5-8-23)14-21-15-22(27(29,30)31)6-9-24(21)28/h4-9,15-17H,10-14H2,1-3H3