N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C21H19FN2O5S/c22-16-5-1-6-17(12-16)29-21-15(4-2-9-23-21)14-24-30(25,26)18-7-8-19-20(13-18)28-11-3-10-27-19/h1-2,4-9,12-13,24H,3,10-11,14H2