2-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-piperidyl]-1H-benzimidazole Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c29-28(30)22-16-18(33(31,32)27-12-4-1-5-13-27)8-9-21(22)26-14-10-17(11-15-26)23-24-19-6-2-3-7-20(19)25-23/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,24,25)