(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N4O8S2 MolecularWeight: 494.49822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O8S2/c24-17(30-10-13-8-14(23(25)26)7-12-9-29-11-31-19(12)13)5-2-6-20-33(27,28)16-4-1-3-15-18(16)22-32-21-15/h1,3-4,7-8,20H,2,5-6,9-11H2