1-butyl-2-[(3-nitrophenoxy)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-nitrophenoxy)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(3-nitrophenoxy)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(3-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/c1-2-3-9-21-17-8-7-15(28(19,25)26)11-16(17)20-18(21)12-27-14-6-4-5-13(10-14)22(23)24/h4-8,10-11H,2-3,9,12H2,1H3,(H2,19,25,26)