2-chloranyl-4-fluoranyl-5-[2-(phenylmethylsulfanyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[2-(phenylmethylsulfanyl)ethylsulfamoyl]benzoic acid Openeye Name: 5-(2-benzylsulfanylethylsulfamoyl)-2-chloro-4-fluoro-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[2-(phenylmethylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 5-(2-benzylsulfanylethylsulfamoyl)-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[2-(benzylthio)ethylsulfamoyl]-2-chloro-4-fluoro-benzoic acid Formula: C16H15ClFNO4S2 MolecularWeight: 403.876003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C16H15ClFNO4S2/c17-13-9-14(18)15(8-12(13)16(20)21)25(22,23)19-6-7-24-10-11-4-2-1-3-5-11/h1-5,8-9,19H,6-7,10H2,(H,20,21)