1-ethyl-2-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-5-piperidinosulfonyl-benzimidazole Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC4=C(N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC4=C(N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-3-25-18-9-8-16(32(29,30)24-11-5-4-6-12-24)13-17(18)23-20(25)14-31-19-10-7-15(2)22-21(19)26(27)28/h7-10,13H,3-6,11-12,14H2,1-2H3