N-[[2-(trifluoromethyloxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[[2-(trifluoromethyloxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(trifluoromethoxy)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16F3NO5S MolecularWeight: 403.37285

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3OC(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3OC(F)(F)F)OC1

InChI

InChI=1S/C17H16F3NO5S/c18-17(19,20)26-14-5-2-1-4-12(14)11-21-27(22,23)13-6-7-15-16(10-13)25-9-3-8-24-15/h1-2,4-7,10,21H,3,8-9,11H2