N-[4-(4-nitrophenyl)phenyl]-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(4-nitrophenyl)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-[4-(4-nitrophenyl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-nitrophenyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-nitrophenyl)phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-nitrophenyl)phenyl]acetamide Formula: C27H21N4O5S2+ MolecularWeight: 545.60944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O5S2/c32-26(28-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(33)34)18-37-27-29-24-8-4-5-9-25(24)30(27)38(35,36)23-6-2-1-3-7-23/h1-17H,18H2,(H,28,32)/p+1