1-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole

Systemtic Name: 1-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Openeye Name: 1-[[1-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole CAS Name: 1-[[1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-piperidinyl]methyl]-2-(trifluoromethyl)benzimidazole IUPAC Name: 1-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Traditional Name: 1-[[1-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole Formula: C21H21F4N3O3S MolecularWeight: 471.468353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

InChI

InChI=1S/C21H21F4N3O3S/c1-31-18-7-6-15(22)12-19(18)32(29,30)27-10-8-14(9-11-27)13-28-17-5-3-2-4-16(17)26-20(28)21(23,24)25/h2-7,12,14H,8-11,13H2,1H3