N,N-diethyl-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-diethyl-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-diethyl-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-diethyl-2-[[1-(3-nitrophenyl)sulfonyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N,N-diethyl-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N,N-diethyl-2-[[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]thio]acetamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-3-21(4-2)18(24)13-29-19-20-16-10-5-6-11-17(16)22(19)30(27,28)15-9-7-8-14(12-15)23(25)26/h5-12H,3-4,13H2,1-2H3