1-[5-propan-2-ylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[5-propan-2-ylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-isopropylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-propan-2-ylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-propan-2-ylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-isopropylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C15H13F3N4O4S MolecularWeight: 402.34833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C=C1C(F)(F)F)NC(=N2)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=C1C(F)(F)F)NC(=N2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C15H13F3N4O4S/c1-7(2)27(25,26)12-4-11-10(3-9(12)15(16,17)18)20-14(21-11)22-6-8(5-19-22)13(23)24/h3-7H,1-2H3,(H,20,21)(H,23,24)