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

Systemtic Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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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-]

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-]

InChI

InChI=1S/C22H26N4O5S2/c1-14(2)12-25(13-15(3)4)33(30,31)16-9-10-18-20(11-16)32-22(23-18)24-21(27)17-7-5-6-8-19(17)26(28)29/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,27)