5-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C20H14N2O6S3 MolecularWeight: 474.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)O

InChI

InChI=1S/C20H14N2O6S3/c23-15-8-6-12(10-13(15)19(25)26)31(27,28)22-11-5-7-16(24)18(9-11)30-20-21-14-3-1-2-4-17(14)29-20/h1-10,22-24H,(H,25,26)