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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)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

CC(C)CN(CC(C)C)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/c1-13(2)11-25(12-14(3)4)36(33,34)18-5-6-19-20(10-18)35-22(23-19)24-21(28)15-7-16(26(29)30)9-17(8-15)27(31)32/h5-10,13-14H,11-12H2,1-4H3,(H,23,24,28)