N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C20H21F3N2O3S MolecularWeight: 426.45255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S/c1-13(2)19(26)25-9-8-14-6-7-17(10-15(14)12-25)24-29(27,28)18-5-3-4-16(11-18)20(21,22)23/h3-7,10-11,13,24H,8-9,12H2,1-2H3