1-butyl-2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]benzimidazole-5-sulfonamide Formula: C20H24ClN5O4S MolecularWeight: 465.95366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H24ClN5O4S/c1-3-4-9-25-19-8-6-16(31(22,29)30)11-18(19)23-20(25)13-24(2)12-14-10-15(26(27)28)5-7-17(14)21/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H2,22,29,30)