N-(1,3-benzodioxol-5-ylmethyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-cyclohexylsulfonyl-3-pyridazinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide Traditional Name: 2-[(6-cyclohexylsulfonylpyridazin-3-yl)thio]-N-piperonyl-acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O5S2/c24-18(21-11-14-6-7-16-17(10-14)28-13-27-16)12-29-19-8-9-20(23-22-19)30(25,26)15-4-2-1-3-5-15/h6-10,15H,1-5,11-13H2,(H,21,24)