4-[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazol-5-yl]sulfonylmorpholine Formula: C22H24N4O7S2 MolecularWeight: 520.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H24N4O7S2/c1-2-25-20-4-3-18(35(29,30)24-5-7-31-8-6-24)11-19(20)23-22(25)34-13-16-10-17(26(27)28)9-15-12-32-14-33-21(15)16/h3-4,9-11H,2,5-8,12-14H2,1H3