1-[5-chloranyl-6-[(4-fluorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[5-chloranyl-6-[(4-fluorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-chloro-6-[(4-fluorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-chloro-6-[(4-fluorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-chloro-6-[(4-fluorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-chloro-6-(4-fluorobenzyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C18H12ClFN4O4S MolecularWeight: 434.828683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl)F

InChI

InChI=1S/C18H12ClFN4O4S/c19-13-5-14-15(23-18(22-14)24-8-11(7-21-24)17(25)26)6-16(13)29(27,28)9-10-1-3-12(20)4-2-10/h1-8H,9H2,(H,22,23)(H,25,26)