N-(2,6-dimethoxypyridin-3-yl)-5-(1,2-dithiolan-3-yl)-N-methylsulfonyl-pentanamide

Systemtic Name: N-(2,6-dimethoxypyridin-3-yl)-5-(1,2-dithiolan-3-yl)-N-methylsulfonyl-pentanamide Openeye Name: N-(2,6-dimethoxy-3-pyridyl)-5-(dithiolan-3-yl)-N-methylsulfonyl-pentanamide CAS Name: N-(2,6-dimethoxy-3-pyridinyl)-5-(3-dithiolanyl)-N-methylsulfonylpentanamide IUPAC Name: N-(2,6-dimethoxypyridin-3-yl)-5-(dithiolan-3-yl)-N-methylsulfonylpentanamide Traditional Name: N-(2,6-dimethoxy-3-pyridyl)-5-(dithiolan-3-yl)-N-mesyl-valeramide Formula: C16H24N2O5S3 MolecularWeight: 420.56716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)CCCCC2CCSS2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)CCCCC2CCSS2)S(=O)(=O)C)OC

InChI

InChI=1S/C16H24N2O5S3/c1-22-14-9-8-13(16(17-14)23-2)18(26(3,20)21)15(19)7-5-4-6-12-10-11-24-25-12/h8-9,12H,4-7,10-11H2,1-3H3