2-[[5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-yl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-yl]-methyl-amino]acetic acid CAS Name: 2-[[5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-yl]-methylamino]acetic acid IUPAC Name: 2-[[5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-yl]-methylamino]acetic acid Traditional Name: 2-[[5-[3-(4-fluorophenoxy)benzyl]sulfonyl-1,2,4-thiadiazol-3-yl]-methyl-amino]acetic acid Formula: C18H16FN3O5S2 MolecularWeight: 437.465143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=NSC(=N1)S(=O)(=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)O)C1=NSC(=N1)S(=O)(=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O5S2/c1-22(10-16(23)24)17-20-18(28-21-17)29(25,26)11-12-3-2-4-15(9-12)27-14-7-5-13(19)6-8-14/h2-9H,10-11H2,1H3,(H,23,24)