2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-pyrrolidinosulfonyl-pyridine Formula: C18H19ClN2O4S2 MolecularWeight: 426.93746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C18H19ClN2O4S2/c19-15-7-13-10-24-12-25-18(13)14(8-15)11-26-17-4-3-16(9-20-17)27(22,23)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10-12H2