1-butyl-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(2-nitrophenyl)-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(2-nitrophenyl)piperazino]methyl]benzimidazole-5-sulfonamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4S/c1-2-3-10-27-19-9-8-17(33(23,31)32)15-18(19)24-22(27)16-25-11-13-26(14-12-25)20-6-4-5-7-21(20)28(29)30/h4-9,15H,2-3,10-14,16H2,1H3,(H2,23,31,32)