1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(3-fluorophenoxy)ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(3-fluorophenoxy)ethanone Formula: C21H23FN2O6S MolecularWeight: 450.480523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C21H23FN2O6S/c22-16-3-1-4-17(13-16)30-15-21(25)23-7-9-24(10-8-23)31(26,27)18-5-6-19-20(14-18)29-12-2-11-28-19/h1,3-6,13-14H,2,7-12,15H2