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

Systemtic Name: N-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(difluoromethoxy)benzyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22F2N2O4S MolecularWeight: 424.461486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N2O4S/c1-2-29(26,27)24-13-16-9-4-3-7-14(16)11-17(24)19(25)23-12-15-8-5-6-10-18(15)28-20(21)22/h3-10,17,20H,2,11-13H2,1H3,(H,23,25)