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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-pyrrolidinosulfonyl-pyridine Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H19N3O6S2/c22-21(23)15-7-13-10-26-12-27-18(13)14(8-15)11-28-17-4-3-16(9-19-17)29(24,25)20-5-1-2-6-20/h3-4,7-9H,1-2,5-6,10-12H2