N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H21F3N2O3S2 MolecularWeight: 482.53895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CSC=C4

InChI

InChI=1S/C22H21F3N2O3S2/c23-22(24,25)30-19-5-7-20(8-6-19)32(28,29)26-13-21(18-10-12-31-15-18)27-11-9-16-3-1-2-4-17(16)14-27/h1-8,10,12,15,21,26H,9,11,13-14H2