2-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-3-yl]-1H-benzimidazole Openeye Name: 2-[1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-3-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-yl]-1H-benzimidazole Traditional Name: 2-[1-(2-nitro-4-piperidinosulfonyl-phenyl)-3-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)N3CCCC(C3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

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