4-[3-(8-chloranylquinazolin-4-yl)-4-fluoranyl-phenoxy]-2-methylsulfonyl-benzoic acid

Systemtic Name: 4-[3-(8-chloranylquinazolin-4-yl)-4-fluoranyl-phenoxy]-2-methylsulfonyl-benzoic acid Openeye Name: 4-[3-(8-chloroquinazolin-4-yl)-4-fluoro-phenoxy]-2-methylsulfonyl-benzoic acid CAS Name: 4-[3-(8-chloro-4-quinazolinyl)-4-fluorophenoxy]-2-methylsulfonylbenzoic acid IUPAC Name: 4-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]-2-methylsulfonylbenzoic acid Traditional Name: 4-[3-(8-chloroquinazolin-4-yl)-4-fluoro-phenoxy]-2-mesyl-benzoic acid Formula: C22H14ClFN2O5S MolecularWeight: 472.873363

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)F)C3=NC=NC4=C3C=CC=C4Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)F)C3=NC=NC4=C3C=CC=C4Cl)C(=O)O

InChI

InChI=1S/C22H14ClFN2O5S/c1-32(29,30)19-10-13(5-7-14(19)22(27)28)31-12-6-8-18(24)16(9-12)20-15-3-2-4-17(23)21(15)26-11-25-20/h2-11H,1H3,(H,27,28)