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

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17ClN4O3S2/c17-13-5-4-12(26(23,24)21-8-1-2-9-21)10-14(13)20-15(22)11-25-16-18-6-3-7-19-16/h3-7,10H,1-2,8-9,11H2,(H,20,22)