N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(5-cyano-2-ethyl-6-methyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(5-cyano-2-ethyl-6-methylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)thio]acetamide Formula: C20H22ClN5O4S2 MolecularWeight: 496.00278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C#N)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C#N)C

InChI

InChI=1S/C20H22ClN5O4S2/c1-3-18-23-13(2)15(11-22)20(25-18)31-12-19(27)24-17-10-14(4-5-16(17)21)32(28,29)26-6-8-30-9-7-26/h4-5,10H,3,6-9,12H2,1-2H3,(H,24,27)