2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N4O4S2/c1-4-31-20-9-8-18(13-21(20)33(29,30)27-10-6-5-7-11-27)26-22(28)15-32-23-19(14-24)16(2)12-17(3)25-23/h8-9,12-13H,4-7,10-11,15H2,1-3H3,(H,26,28)