5-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[6-[(2-chloro-6-fluorophenyl)methylthio]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[6-[(2-chloro-6-fluoro-benzyl)thio]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid Formula: C20H16ClFN2O4S2 MolecularWeight: 466.933443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)SCC3=C(C=CC=C3Cl)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)SCC3=C(C=CC=C3Cl)F)C(=O)O

InChI

InChI=1S/C20H16ClFN2O4S2/c1-12-5-7-14(9-15(12)20(25)26)30(27,28)24-13-6-8-19(23-10-13)29-11-16-17(21)3-2-4-18(16)22/h2-10,24H,11H2,1H3,(H,25,26)