N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O5S2/c23-18(21-14-4-6-16-17(10-14)27-13-26-16)12-28-19-7-5-15(11-20-19)29(24,25)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12-13H2,(H,21,23)