4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]sulfonylpiazthiole Formula: C19H19N5O6S2 MolecularWeight: 477.51406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H19N5O6S2/c25-24(26)15-8-13(19-14(9-15)11-29-12-30-19)10-22-4-6-23(7-5-22)32(27,28)17-3-1-2-16-18(17)21-31-20-16/h1-3,8-9H,4-7,10-12H2