1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole

Systemtic Name: 1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Openeye Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole CAS Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]methyl]-2-(trifluoromethyl)benzimidazole IUPAC Name: 1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Traditional Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole Formula: C20H19F3N4O4S MolecularWeight: 468.44947

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2C(F)(F)F)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2C(F)(F)F)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N4O4S/c21-20(22,23)19-24-17-6-1-2-7-18(17)26(19)13-14-8-10-25(11-9-14)32(30,31)16-5-3-4-15(12-16)27(28)29/h1-7,12,14H,8-11,13H2