1-ethyl-2-[(2-fluoranyl-4-nitro-phenoxy)methyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(2-fluoranyl-4-nitro-phenoxy)methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(2-fluoro-4-nitro-phenoxy)methyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(2-fluoro-4-nitrophenoxy)methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(2-fluoro-4-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(2-fluoro-4-nitro-phenoxy)methyl]-5-piperidinosulfonyl-benzimidazole Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O5S/c1-2-25-19-8-7-16(32(29,30)24-10-4-3-5-11-24)13-18(19)23-21(25)14-31-20-9-6-15(26(27)28)12-17(20)22/h6-9,12-13H,2-5,10-11,14H2,1H3