N,N,1-triethyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(4-nitrophenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-nitrobenzyl)thio]benzimidazole-5-sulfonamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S2/c1-4-22(5-2)30(27,28)17-11-12-19-18(13-17)21-20(23(19)6-3)29-14-15-7-9-16(10-8-15)24(25)26/h7-13H,4-6,14H2,1-3H3