6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-keto-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide Formula: C26H20F3N3O4S MolecularWeight: 527.51491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H20F3N3O4S/c27-26(28,29)18-6-3-7-19(12-18)31-25(34)22-14-30-23-9-8-20(13-21(23)24(22)33)37(35,36)32-11-10-16-4-1-2-5-17(16)15-32/h1-9,12-14H,10-11,15H2,(H,30,33)(H,31,34)