4-[[3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoate

Systemtic Name: 4-[[3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoate Openeye Name: 4-[[4-hydroxy-3-(3-oxido-3-oxo-propyl)sulfanyl-1-naphthyl]sulfamoyl]benzoate CAS Name: 4-[[4-hydroxy-3-[(3-oxido-3-oxopropyl)thio]-1-naphthalenyl]sulfamoyl]benzoate IUPAC Name: 4-[[4-hydroxy-3-(3-oxido-3-oxopropyl)sulfanylnaphthalen-1-yl]sulfamoyl]benzoate Traditional Name: 4-[[4-hydroxy-3-[(3-keto-3-oxido-propyl)thio]-1-naphthyl]sulfamoyl]benzoate Formula: C20H15NO7S2-2 MolecularWeight: 445.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H17NO7S2/c22-18(23)9-10-29-17-11-16(14-3-1-2-4-15(14)19(17)24)21-30(27,28)13-7-5-12(6-8-13)20(25)26/h1-8,11,21,24H,9-10H2,(H,22,23)(H,25,26)/p-2