N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-thienylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-thiophenylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-thenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H19F3N2O3S2 MolecularWeight: 480.52307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCC4=CSC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C22H19F3N2O3S2/c23-22(24,25)18-5-7-19(8-6-18)32(29,30)27-13-17-4-2-1-3-16(17)11-20(27)21(28)26-12-15-9-10-31-14-15/h1-10,14,20H,11-13H2,(H,26,28)