2-azanyl-1-[2-[2-bromanyl-4-[dimethyl(sulfinato)azaniumyl]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide

Systemtic Name: 2-azanyl-1-[2-[2-bromanyl-4-[dimethyl(sulfinato)azaniumyl]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide Openeye Name: 2-amino-1-[2-[2-bromo-4-[dimethyl(sulfinato)ammonio]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide CAS Name: 2-amino-1-[2-[2-bromo-4-[dimethyl(sulfinato)ammonio]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide IUPAC Name: 2-amino-1-[2-[2-bromo-4-[dimethyl(sulfinato)azaniumyl]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide Traditional Name: 2-amino-1-[2-[2-bromo-4-[dimethyl(sulfinato)ammonio]phenyl]ethyl]-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazole hydroiodide Formula: C28H31BrF3IN4O2S MolecularWeight: 751.44002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C(=CC=C2)N=C(N3CCC4=C(C=C(C=C4)[N+](C)(C)S(=O)[O-])Br)N)C(F)(F)F.I

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C(=CC=C2)N=C(N3CCC4=C(C=C(C=C4)[N+](C)(C)S(=O)[O-])Br)N)C(F)(F)F.I

InChI

InChI=1S/C28H30BrF3N4O2S.HI/c1-27(2,3)19-13-18(14-20(15-19)28(30,31)32)22-7-6-8-24-25(22)35(26(33)34-24)12-11-17-9-10-21(16-23(17)29)36(4,5)39(37)38;/h6-10,13-16H,11-12H2,1-5H3,(H2-,33,34,37,38);1H