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

Systemtic Name: 1-[[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Openeye Name: 1-[[1-(2-nitrophenyl)sulfonyl-4-piperidyl]methyl]-2-(trifluoromethyl)benzimidazole CAS Name: 1-[[1-(2-nitrophenyl)sulfonyl-4-piperidinyl]methyl]-2-(trifluoromethyl)benzimidazole IUPAC Name: 1-[[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(trifluoromethyl)benzimidazole Traditional Name: 1-[[1-(2-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)19-24-15-5-1-2-6-16(15)26(19)13-14-9-11-25(12-10-14)32(30,31)18-8-4-3-7-17(18)27(28)29/h1-8,14H,9-13H2