2-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[[5-chloro-2-(3-pyridylmethoxy)phenyl]methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[[5-chloro-2-(3-pyridinylmethoxy)phenyl]methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[[5-chloro-2-(3-pyridylmethoxy)benzyl]thio]-5-pyrrolidinosulfonyl-pyridine Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C22H22ClN3O3S2/c23-19-5-7-21(29-15-17-4-3-9-24-13-17)18(12-19)16-30-22-8-6-20(14-25-22)31(27,28)26-10-1-2-11-26/h3-9,12-14H,1-2,10-11,15-16H2