N,N-diethyl-2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-diethyl-2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-diethyl-2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-diethyl-2-[[1-(2-methyl-5-nitrophenyl)sulfonyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N,N-diethyl-2-[1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N,N-diethyl-2-[[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]thio]acetamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S2/c1-4-22(5-2)19(25)13-30-20-21-16-8-6-7-9-17(16)23(20)31(28,29)18-12-15(24(26)27)11-10-14(18)3/h6-12H,4-5,13H2,1-3H3