N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20N4O4S2/c1-13-3-4-14(20-16(22)12-26-17-18-5-2-6-19-17)11-15(13)27(23,24)21-7-9-25-10-8-21/h2-6,11H,7-10,12H2,1H3,(H,20,22)