N,N,1-triethyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S2/c1-5-24(6-2)33(30,31)17-10-11-19-18(13-17)23-22(25(19)7-3)32-14-21(27)16-9-8-15(4)20(12-16)26(28)29/h8-13H,5-7,14H2,1-4H3