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

Systemtic Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]sulfamoyl]benzoic acid Formula: C20H14N2O5S3 MolecularWeight: 458.53056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O5S3/c23-16-9-8-13(22-30(26,27)14-5-3-4-12(10-14)19(24)25)11-18(16)29-20-21-15-6-1-2-7-17(15)28-20/h1-11,22-23H,(H,24,25)