2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-6-fluoro-benzonitrile Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c21-17-3-1-4-18(16(17)14-22)23-7-9-24(10-8-23)29(25,26)15-5-6-19-20(13-15)28-12-2-11-27-19/h1,3-6,13H,2,7-12H2