6-chloranyl-1-ethyl-2-methyl-5-methylsulfonyl-7-nitro-benzimidazole

Systemtic Name: 6-chloranyl-1-ethyl-2-methyl-5-methylsulfonyl-7-nitro-benzimidazole Openeye Name: 6-chloro-1-ethyl-2-methyl-5-methylsulfonyl-7-nitro-benzimidazole CAS Name: 6-chloro-1-ethyl-2-methyl-5-methylsulfonyl-7-nitrobenzimidazole IUPAC Name: 6-chloro-1-ethyl-2-methyl-5-methylsulfonyl-7-nitrobenzimidazole Traditional Name: 6-chloro-1-ethyl-5-mesyl-2-methyl-7-nitro-benzimidazole Formula: C11H12ClN3O4S MolecularWeight: 317.74868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CC(=C(C(=C21)[N+](=O)[O-])Cl)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=NC2=CC(=C(C(=C21)[N+](=O)[O-])Cl)S(=O)(=O)C)C

InChI

InChI=1S/C11H12ClN3O4S/c1-4-14-6(2)13-7-5-8(20(3,18)19)9(12)11(10(7)14)15(16)17/h5H,4H2,1-3H3