1-butyl-2-[(2-nitropyridin-3-yl)oxymethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2-nitropyridin-3-yl)oxymethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2-nitro-3-pyridyl)oxymethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(2-nitro-3-pyridinyl)oxymethyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2-nitropyridin-3-yl)oxymethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-nitro-3-pyridyl)oxymethyl]benzimidazole-5-sulfonamide Formula: C17H19N5O5S MolecularWeight: 405.42826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S/c1-2-3-9-21-14-7-6-12(28(18,25)26)10-13(14)20-16(21)11-27-15-5-4-8-19-17(15)22(23)24/h4-8,10H,2-3,9,11H2,1H3,(H2,18,25,26)