4-[[3-(furan-2-ylmethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoate

Systemtic Name: 4-[[3-(furan-2-ylmethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoate Openeye Name: 4-[[3-(2-furylmethylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoate CAS Name: 4-[[3-(2-furanylmethylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoate IUPAC Name: 4-[[3-(furan-2-ylmethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoate Traditional Name: 4-[[3-(2-furfurylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoate Formula: C22H16NO6S2- MolecularWeight: 454.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCC3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCC3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H17NO6S2/c24-21-18-6-2-1-5-17(18)19(12-20(21)30-13-15-4-3-11-29-15)23-31(27,28)16-9-7-14(8-10-16)22(25)26/h1-12,23-24H,13H2,(H,25,26)/p-1