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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C17H19ClN4O3S2 MolecularWeight: 426.94076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3S2/c18-14-6-5-13(27(24,25)22-9-2-1-3-10-22)11-15(14)21-16(23)12-26-17-19-7-4-8-20-17/h4-8,11H,1-3,9-10,12H2,(H,21,23)