1,3-bis-(4-methylphenyl)sulfonyl-5-nitro-benzimidazol-2-one

Systemtic Name: 1,3-bis-(4-methylphenyl)sulfonyl-5-nitro-benzimidazol-2-one Openeye Name: 5-nitro-1,3-bis(p-tolylsulfonyl)benzimidazol-2-one CAS Name: 1,3-bis-(4-methylphenyl)sulfonyl-5-nitro-2-benzimidazolone IUPAC Name: 1,3-bis-(4-methylphenyl)sulfonyl-5-nitrobenzimidazol-2-one Traditional Name: 5-nitro-1,3-ditosyl-benzimidazol-2-one Formula: C21H17N3O7S2 MolecularWeight: 487.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H17N3O7S2/c1-14-3-8-17(9-4-14)32(28,29)22-19-12-7-16(24(26)27)13-20(19)23(21(22)25)33(30,31)18-10-5-15(2)6-11-18/h3-13H,1-2H3