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

Systemtic Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[(3-nitrophenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-1-(2-methoxyphenyl)-2-[(3-nitrobenzyl)thio]benzimidazole-5-sulfonamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=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)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4OC

InChI

InChI=1S/C25H26N4O5S2/c1-4-27(5-2)36(32,33)20-13-14-22-21(16-20)26-25(28(22)23-11-6-7-12-24(23)34-3)35-17-18-9-8-10-19(15-18)29(30)31/h6-16H,4-5,17H2,1-3H3