1-butyl-N,N-diethyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-diethyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-diethyl-2-[(5-nitro-2-oxo-1-pyridyl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-diethyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-diethyl-2-[(5-nitro-2-oxopyridin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-diethyl-2-[(2-keto-5-nitro-1-pyridyl)methyl]benzimidazole-5-sulfonamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5S/c1-4-7-12-25-19-10-9-17(32(30,31)24(5-2)6-3)13-18(19)22-20(25)15-23-14-16(26(28)29)8-11-21(23)27/h8-11,13-14H,4-7,12,15H2,1-3H3