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

Systemtic Name: 1-ethyl-2-[(4-methyl-2-nitro-phenoxy)methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(4-methyl-2-nitro-phenoxy)methyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(4-methyl-2-nitrophenoxy)methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(4-methyl-2-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(4-methyl-2-nitro-phenoxy)methyl]-5-piperidinosulfonyl-benzimidazole Formula: C22H26N4O5S MolecularWeight: 458.53064

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-3-25-19-9-8-17(32(29,30)24-11-5-4-6-12-24)14-18(19)23-22(25)15-31-21-10-7-16(2)13-20(21)26(27)28/h7-10,13-14H,3-6,11-12,15H2,1-2H3