4-(4-methoxyphenoxy)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methoxyphenoxy)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 3-benzylsulfanyl-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methoxyphenoxy)-3-(phenylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-benzylsulfanyl-4-(4-methoxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylthio)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S2/c1-27-16-7-9-17(10-8-16)28-20-18(29-13-14-5-3-2-4-6-14)11-15(21(23)24)12-19(20)30(22,25)26/h2-12H,13H2,1H3,(H,23,24)(H2,22,25,26)