4-chloranyl-3-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-[(2-fluorobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H16ClFN2O4S MolecularWeight: 458.889843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClFN2O4S/c23-17-10-5-13(22(29)30)11-19(17)26-20(27)12-31-15-8-6-14(7-9-15)25-21(28)16-3-1-2-4-18(16)24/h1-11H,12H2,(H,25,28)(H,26,27)(H,29,30)