5,6-bis(fluoranyl)-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 5,6-bis(fluoranyl)-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 5,6-difluoro-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1H-benzimidazole CAS Name: 5,6-difluoro-2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 5,6-difluoro-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 5,6-difluoro-2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1H-benzimidazole Formula: C18H16F2N4O4S2 MolecularWeight: 454.470846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC(=C(C=C4N3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC(=C(C=C4N3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F2N4O4S2/c19-12-9-14-15(10-13(12)20)22-18(21-14)29-17-5-4-11(8-16(17)24(25)26)30(27,28)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2,(H,21,22)