2-[(3-methoxyphenyl)methylsulfinyl]-5-nitro-1-(phenylsulfonyl)benzimidazole

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfinyl]-5-nitro-1-(phenylsulfonyl)benzimidazole Openeye Name: 1-(benzenesulfonyl)-2-[(3-methoxyphenyl)methylsulfinyl]-5-nitro-benzimidazole CAS Name: 1-(benzenesulfonyl)-2-[(3-methoxyphenyl)methylsulfinyl]-5-nitrobenzimidazole IUPAC Name: 1-(benzenesulfonyl)-2-[(3-methoxyphenyl)methylsulfinyl]-5-nitrobenzimidazole Traditional Name: 1-besyl-2-m-anisylsulfinyl-5-nitro-benzimidazole Formula: C21H17N3O6S2 MolecularWeight: 471.50618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S2/c1-30-17-7-5-6-15(12-17)14-31(27)21-22-19-13-16(24(25)26)10-11-20(19)23(21)32(28,29)18-8-3-2-4-9-18/h2-13H,14H2,1H3