methyl 2-[2,2,2-tris(fluoranyl)ethylsulfonyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2,2,2-tris(fluoranyl)ethylsulfonyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-(2,2,2-trifluoroethylsulfonyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(2,2,2-trifluoroethylsulfonyl)-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2,2-trifluoroethylsulfonyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(2,2,2-trifluoroethylsulfonyl)-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C11H9F3N2O4S MolecularWeight: 322.26037

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C11H9F3N2O4S/c1-20-9(17)6-2-3-7-8(4-6)16-10(15-7)21(18,19)5-11(12,13)14/h2-4H,5H2,1H3,(H,15,16)