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

Systemtic Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid Formula: C24H16N2O5S3 MolecularWeight: 508.58924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4S3)NS(=O)(=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4S3)NS(=O)(=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H16N2O5S3/c27-22-17-9-2-1-8-16(17)19(26-34(30,31)15-7-5-6-14(12-15)23(28)29)13-21(22)33-24-25-18-10-3-4-11-20(18)32-24/h1-13,26-27H,(H,28,29)