N-(8-chloranyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide

Systemtic Name: N-(8-chloranyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide Openeye Name: N-(8-chloro-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide CAS Name: N-(8-chloro-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide IUPAC Name: N-(8-chloro-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide Traditional Name: N-(8-chloro-2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide Formula: C19H18ClF3N2O4S MolecularWeight: 462.87043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(CCN(C3)S(=O)(=O)C)C=C2)Cl)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(CCN(C3)S(=O)(=O)C)C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C19H18ClF3N2O4S/c1-29-16-6-4-12(9-14(16)19(21,22)23)18(26)24-15-5-3-11-7-8-25(30(2,27)28)10-13(11)17(15)20/h3-6,9H,7-8,10H2,1-2H3,(H,24,26)