N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O4S2/c1-26-16-7-6-14(28(24,25)22-10-3-2-4-11-22)12-15(16)21-17(23)13-27-18-19-8-5-9-20-18/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,23)