N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C18H17N5O7S2 MolecularWeight: 479.48688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O7S2/c1-3-21(4-2)32(29,30)14-5-6-15-16(10-14)31-18(19-15)20-17(24)11-7-12(22(25)26)9-13(8-11)23(27)28/h5-10H,3-4H2,1-2H3,(H,19,20,24)