[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)F

InChI

InChI=1S/C21H20F3N3O4S/c22-15-9-8-14(12-18(15)32(29,30)26-10-4-1-5-11-26)20(28)31-13-19-25-16-6-2-3-7-17(16)27(19)21(23)24/h2-3,6-9,12,21H,1,4-5,10-11,13H2