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

Systemtic Name: 4-[4-chloranyl-5-(4-ethoxy-3-fluoranyl-phenyl)imidazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-chloro-5-(4-ethoxy-3-fluoro-phenyl)imidazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-imidazolyl]benzenesulfonic acid IUPAC Name: 4-[4-chloro-5-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-chloro-5-(4-ethoxy-3-fluoro-phenyl)imidazol-1-yl]besylic acid Formula: C17H14ClFN2O4S MolecularWeight: 396.820463

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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

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)O)Cl)F

InChI

InChI=1S/C17H14ClFN2O4S/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)