4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]benzenesulfonic acid

Systemtic Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]benzenesulfonic acid Openeye Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]benzenesulfonic acid CAS Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]benzenesulfonic acid IUPAC Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]benzenesulfonic acid Traditional Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-2H-benzimidazol-1-yl]methyl]besylic acid Formula: C17H17F3N2O3S MolecularWeight: 386.38869

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)O)C=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1N(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)O)C=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C17H17F3N2O3S/c1-11-21(2)15-8-5-13(17(18,19)20)9-16(15)22(11)10-12-3-6-14(7-4-12)26(23,24)25/h3-9,11H,10H2,1-2H3,(H,23,24,25)