2-ethylsulfonyl-N-[[2-(trifluoromethyloxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[[2-(trifluoromethyloxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(trifluoromethoxy)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c1-2-30(27,28)25-13-16-9-4-3-7-14(16)11-17(25)19(26)24-12-15-8-5-6-10-18(15)29-20(21,22)23/h3-10,17H,2,11-13H2,1H3,(H,24,26)