2-nitro-1-[6-(phenylsulfonyl)hexyl]imidazole

Systemtic Name: 2-nitro-1-[6-(phenylsulfonyl)hexyl]imidazole Openeye Name: 1-[6-(benzenesulfonyl)hexyl]-2-nitro-imidazole CAS Name: 1-[6-(benzenesulfonyl)hexyl]-2-nitroimidazole IUPAC Name: 1-[6-(benzenesulfonyl)hexyl]-2-nitroimidazole Traditional Name: 1-(6-besylhexyl)-2-nitro-imidazole Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCCCCN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCCCCN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c19-18(20)15-16-10-12-17(15)11-6-1-2-7-13-23(21,22)14-8-4-3-5-9-14/h3-5,8-10,12H,1-2,6-7,11,13H2