methyl 4-(benzimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-(benzimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 4-(benzimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate CAS Name: 4-(1-benzimidazolyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(benzimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Traditional Name: 4-(benzimidazol-1-yl)-5-mesyl-2-(trifluoromethyl)benzoic acid methyl ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(F)(F)F)N2C=NC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(F)(F)F)N2C=NC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C17H13F3N2O4S/c1-26-16(23)10-7-15(27(2,24)25)14(8-11(10)17(18,19)20)22-9-21-12-5-3-4-6-13(12)22/h3-9H,1-2H3