4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C17H16N4O7S2 MolecularWeight: 452.46154

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H16N4O7S2/c1-18-30(25,26)9-4-5-11-15(6-9)29-17(19-11)20-16(22)10-7-13(27-2)14(28-3)8-12(10)21(23)24/h4-8,18H,1-3H3,(H,19,20,22)