4-methylsulfonyl-N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]benzamide Openeye Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-methylsulfonylbenzamide Traditional Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-4-mesyl-benzamide Formula: C21H16N4O6S MolecularWeight: 452.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c1-32(30,31)17-9-4-14(5-10-17)21(26)22-15-6-2-13(3-7-15)20-23-18-11-8-16(25(28)29)12-19(18)24(20)27/h2-12,27H,1H3,(H,22,26)