5-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F

InChI

InChI=1S/C22H17FN2O5S/c23-14-3-1-13(2-4-14)21(28)25-15-5-8-17(9-6-15)31-12-20(27)24-16-7-10-19(26)18(11-16)22(29)30/h1-11,26H,12H2,(H,24,27)(H,25,28)(H,29,30)