[4-[2-[2-azanyl-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]ethyl]-3-bromanyl-phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [4-[2-[2-azanyl-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]ethyl]-3-bromanyl-phenyl]-dimethyl-sulfino-azanium Openeye Name: [4-[2-[2-amino-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]ethyl]-3-bromo-phenyl]-dimethyl-sulfino-ammonium CAS Name: [4-[2-[2-amino-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]-1-benzimidazolyl]ethyl]-3-bromophenyl]-dimethyl-sulfinoammonium IUPAC Name: [4-[2-[2-amino-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]ethyl]-3-bromophenyl]-dimethyl-sulfinoazanium Traditional Name: [4-[2-[2-amino-7-[3-tert-butyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]ethyl]-3-bromo-phenyl]-dimethyl-sulfino-ammonium Formula: C28H31BrF3N4O2S+ MolecularWeight: 624.53555

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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

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

InChI

InChI=1S/C28H30BrF3N4O2S/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)/p+1