4-[4-chloranyl-5-(4-fluoranyl-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-chloranyl-5-(4-fluoranyl-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-chloro-5-(4-fluoro-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-imidazolyl]benzenesulfonic acid IUPAC Name: 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-chloro-5-(4-fluoro-3-methoxy-phenyl)imidazol-1-yl]besylic acid Formula: C16H12ClFN2O4S MolecularWeight: 382.793883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)O)Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)O)Cl)F

InChI

InChI=1S/C16H12ClFN2O4S/c1-24-14-8-10(2-7-13(14)18)15-16(17)19-9-20(15)11-3-5-12(6-4-11)25(21,22)23/h2-9H,1H3,(H,21,22,23)