2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoic acid

Systemtic Name: 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoic acid Openeye Name: 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoic acid CAS Name: 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoic acid IUPAC Name: 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoic acid Traditional Name: 2-[3-(2-fluorophenyl)indoxazen-6-yl]sulfonylbutyric acid Formula: C17H14FNO5S MolecularWeight: 363.360163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=CC=C3F

Isomeric SMILES

CCC(C(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=CC=C3F

InChI

InChI=1S/C17H14FNO5S/c1-2-15(17(20)21)25(22,23)10-7-8-12-14(9-10)24-19-16(12)11-5-3-4-6-13(11)18/h3-9,15H,2H2,1H3,(H,20,21)