2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C#N

InChI

InChI=1S/C21H25N5O4S2/c1-14-17(12-22)21(24-15(2)23-14)31-13-20(27)25-18-11-16(7-8-19(18)30-3)32(28,29)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,13H2,1-3H3,(H,25,27)