methyl 4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoate

Systemtic Name: methyl 4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoate Openeye Name: methyl 4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoate CAS Name: 4-[1-ethyl-5-(trifluoromethylsulfonyl)-2-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoate Traditional Name: 4-(1-ethyl-5-triflyl-benzimidazol-2-yl)benzoic acid methyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H15F3N2O4S/c1-3-23-15-9-8-13(28(25,26)18(19,20)21)10-14(15)22-16(23)11-4-6-12(7-5-11)17(24)27-2/h4-10H,3H2,1-2H3