2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluoranylphenoxy)propanoic acid

Systemtic Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluoranylphenoxy)propanoic acid Openeye Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluorophenoxy)propanoic acid CAS Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluorophenoxy)propanoic acid IUPAC Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluorophenoxy)propanoic acid Traditional Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluorophenoxy)propionic acid Formula: C23H18FNO5S MolecularWeight: 439.456123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)OCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)OCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H18FNO5S/c24-20-2-1-3-21(12-20)30-14-19(23(26)27)15-31(28,29)22-10-8-18(9-11-22)17-6-4-16(13-25)5-7-17/h1-12,19H,14-15H2,(H,26,27)