N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-pyridylsulfonyl)piperazino]acetamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OCO2

InChI

InChI=1S/C20H22N4O6S/c1-14(25)16-9-18-19(30-13-29-18)10-17(16)22-20(26)12-23-5-7-24(8-6-23)31(27,28)15-3-2-4-21-11-15/h2-4,9-11H,5-8,12-13H2,1H3,(H,22,26)