1-butyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]benzimidazole-5-sulfonamide Formula: C22H27F3N6O2S MolecularWeight: 496.54899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H27F3N6O2S/c1-2-3-8-31-19-6-5-17(34(26,32)33)13-18(19)28-21(31)15-29-9-11-30(12-10-29)20-7-4-16(14-27-20)22(23,24)25/h4-7,13-14H,2-3,8-12,15H2,1H3,(H2,26,32,33)