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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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