1-butyl-2-[(2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(2-nitrophenoxy)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-2-3-10-21-15-9-8-13(28(19,25)26)11-14(15)20-18(21)12-27-17-7-5-4-6-16(17)22(23)24/h4-9,11H,2-3,10,12H2,1H3,(H2,19,25,26)