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

Systemtic Name: sodium 4-[4-chloranyl-5-(4-ethoxy-3-fluoranyl-phenyl)imidazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-chloro-5-(4-ethoxy-3-fluoro-phenyl)imidazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-imidazolyl]benzenesulfonate IUPAC Name: sodium 4-[4-chloro-5-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-chloro-5-(4-ethoxy-3-fluoro-phenyl)imidazol-1-yl]besylate Formula: C17H13ClFN2NaO4S MolecularWeight: 418.802293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl)F.[Na+]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl)F.[Na+]

InChI

InChI=1S/C17H14ClFN2O4S.Na/c1-2-25-15-8-3-11(9-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)26(22,23)24;/h3-10H,2H2,1H3,(H,22,23,24);/q;+1/p-1