sodium 4-[4-chloranyl-5-(4-fluoranyl-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-chloranyl-5-(4-fluoranyl-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-chloro-5-(4-fluoro-3-methoxy-phenyl)imidazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-imidazolyl]benzenesulfonate IUPAC Name: sodium 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-chloro-5-(4-fluoro-3-methoxy-phenyl)imidazol-1-yl]besylate Formula: C16H11ClFN2NaO4S MolecularWeight: 404.775713

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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.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl)F.[Na+]

InChI

InChI=1S/C16H12ClFN2O4S.Na/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);/q;+1/p-1