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

Systemtic Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H20F3NO6S MolecularWeight: 447.42541

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20F3NO6S/c1-26-9-10-29-16-5-3-13(19(20,21)22)11-15(16)23-30(24,25)14-4-6-17-18(12-14)28-8-2-7-27-17/h3-6,11-12,23H,2,7-10H2,1H3