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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-cyclohexylsulfonyl-3-pyridazinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-cyclohexylsulfonylpyridazin-3-yl)thio]acetamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O5S2/c23-17(20-13-6-7-15-16(10-13)27-12-26-15)11-28-18-8-9-19(22-21-18)29(24,25)14-4-2-1-3-5-14/h6-10,14H,1-5,11-12H2,(H,20,23)