N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(2-pyrimidylthio)acetamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3S2/c22-16(13-25-17-18-8-5-9-19-17)20-14-6-4-7-15(12-14)26(23,24)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11,13H2,(H,20,22)