N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-methoxy-3-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)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3

InChI

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