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

Systemtic Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C22H25N5O7S2 MolecularWeight: 535.5932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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

CCCCN(CCCC)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/C22H25N5O7S2/c1-3-5-9-25(10-6-4-2)36(33,34)18-7-8-19-20(14-18)35-22(23-19)24-21(28)15-11-16(26(29)30)13-17(12-15)27(31)32/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,24,28)