4-[5-(3-fluoranyl-4-methoxy-phenyl)-3-phenylmethoxy-1,2,4-triazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(3-fluoranyl-4-methoxy-phenyl)-3-phenylmethoxy-1,2,4-triazol-1-yl]benzenesulfonamide Openeye Name: 4-[3-benzyloxy-5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3-fluoro-4-methoxyphenyl)-3-phenylmethoxy-1,2,4-triazol-1-yl]benzenesulfonamide IUPAC Name: 4-[5-(3-fluoro-4-methoxyphenyl)-3-phenylmethoxy-1,2,4-triazol-1-yl]benzenesulfonamide Traditional Name: 4-[3-benzoxy-5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazol-1-yl]benzenesulfonamide Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)OCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)OCC4=CC=CC=C4)F

InChI

InChI=1S/C22H19FN4O4S/c1-30-20-12-7-16(13-19(20)23)21-25-22(31-14-15-5-3-2-4-6-15)26-27(21)17-8-10-18(11-9-17)32(24,28)29/h2-13H,14H2,1H3,(H2,24,28,29)