6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(2-methylsulfonylethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(2-methylsulfonylethyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(2-mesylethyl)benzimidazole-5-carboxylic acid Formula: C17H14BrClFN3O4S MolecularWeight: 490.731163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)O

InChI

InChI=1S/C17H14BrClFN3O4S/c1-28(26,27)5-4-23-8-21-16-13(23)7-10(17(24)25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22H,4-5H2,1H3,(H,24,25)