1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]benzimidazole-5-sulfonamide Formula: C23H28F3N5O2S MolecularWeight: 495.56093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3N5O2S/c1-2-3-9-31-21-8-7-19(34(27,32)33)15-20(21)28-22(31)16-29-10-12-30(13-11-29)18-6-4-5-17(14-18)23(24,25)26/h4-8,14-15H,2-3,9-13,16H2,1H3,(H2,27,32,33)