1-[bis(fluoranyl)methyl]-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole

Systemtic Name: 1-[bis(fluoranyl)methyl]-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole Openeye Name: 1-(difluoromethyl)-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-benzimidazole CAS Name: 1-(difluoromethyl)-2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]benzimidazole IUPAC Name: 1-(difluoromethyl)-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylbenzimidazole Traditional Name: 1-(difluoromethyl)-2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]benzimidazole Formula: C19H18F2N4O4S2 MolecularWeight: 468.497426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N4O4S2/c20-18(21)24-15-7-3-2-6-14(15)22-19(24)30-17-9-8-13(12-16(17)25(26)27)31(28,29)23-10-4-1-5-11-23/h2-3,6-9,12,18H,1,4-5,10-11H2