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

Systemtic Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Openeye Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole CAS Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methyl]-2-(trifluoromethyl)benzimidazole IUPAC Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Traditional Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N4O4S/c1-14-6-7-16(28(29)30)12-19(14)33(31,32)26-10-8-15(9-11-26)13-27-18-5-3-2-4-17(18)25-20(27)21(22,23)24/h2-7,12,15H,8-11,13H2,1H3