N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide Formula: C18H17F3N2O3S MolecularWeight: 398.39939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-27(25,26)23-9-8-12-4-7-16(10-14(12)11-23)22-17(24)13-2-5-15(6-3-13)18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24)