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

Systemtic Name: 4-[[3-(1,3-benzoxazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(1,3-benzoxazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(1,3-benzoxazol-2-ylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(1,3-benzoxazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(1,3-benzoxazol-2-ylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid Formula: C24H16N2O6S2 MolecularWeight: 492.52364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4O3)NS(=O)(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4O3)NS(=O)(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H16N2O6S2/c27-22-17-6-2-1-5-16(17)19(26-34(30,31)15-11-9-14(10-12-15)23(28)29)13-21(22)33-24-25-18-7-3-4-8-20(18)32-24/h1-13,26-27H,(H,28,29)