N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(3-pyridylsulfonyl)piperazino]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC1

InChI

InChI=1S/C20H24N4O5S/c25-20(22-16-4-5-18-19(13-16)29-12-2-11-28-18)15-23-7-9-24(10-8-23)30(26,27)17-3-1-6-21-14-17/h1,3-6,13-14H,2,7-12,15H2,(H,22,25)