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

Systemtic Name: 1-ethyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S2/c1-3-21-15-7-6-13(29(19,26)27)9-14(15)20-18(21)28-10-17(23)12-5-4-11(2)16(8-12)22(24)25/h4-9H,3,10H2,1-2H3,(H2,19,26,27)