N,N-diethyl-1-(2-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C26H26N4O6S2 MolecularWeight: 554.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4OC

InChI

InChI=1S/C26H26N4O6S2/c1-4-28(5-2)38(34,35)20-13-14-22-21(16-20)27-26(29(22)23-11-6-7-12-25(23)36-3)37-17-24(31)18-9-8-10-19(15-18)30(32)33/h6-16H,4-5,17H2,1-3H3