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

Systemtic Name: 1-[[1-(5-chloranyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Openeye Name: 1-[[1-(5-chloro-2-methyl-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole CAS Name: 1-[[1-(5-chloro-2-methylphenyl)sulfonyl-4-piperidinyl]methyl]-2-(trifluoromethyl)benzimidazole IUPAC Name: 1-[[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Traditional Name: 1-[[1-(5-chloro-2-methyl-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole Formula: C21H21ClF3N3O2S MolecularWeight: 471.92355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

InChI

InChI=1S/C21H21ClF3N3O2S/c1-14-6-7-16(22)12-19(14)31(29,30)27-10-8-15(9-11-27)13-28-18-5-3-2-4-17(18)26-20(28)21(23,24)25/h2-7,12,15H,8-11,13H2,1H3