4-[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridyl]sulfonyl]morpholine Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H19N3O7S2/c22-21(23)15-7-13-10-27-12-28-18(13)14(8-15)11-29-17-2-1-16(9-19-17)30(24,25)20-3-5-26-6-4-20/h1-2,7-9H,3-6,10-12H2