N-(2,4-dimethyl-6-nitro-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2,4-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2,4-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide Formula: C23H21N4O5S2+ MolecularWeight: 497.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N4O5S2/c1-15-12-16(2)22(20(13-15)27(29)30)25-21(28)14-33-23-24-18-10-6-7-11-19(18)26(23)34(31,32)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,25,28)/p+1