sodium 3-[(3-cyano-5-methoxy-4-oxidanyl-phenyl)sulfamoyl]benzoate

Systemtic Name: sodium 3-[(3-cyano-5-methoxy-4-oxidanyl-phenyl)sulfamoyl]benzoate Openeye Name: sodium 3-[(3-cyano-4-hydroxy-5-methoxy-phenyl)sulfamoyl]benzoate CAS Name: sodium 3-[(3-cyano-4-hydroxy-5-methoxyphenyl)sulfamoyl]benzoate IUPAC Name: sodium 3-[(3-cyano-4-hydroxy-5-methoxyphenyl)sulfamoyl]benzoate Traditional Name: sodium 3-[(3-cyano-4-hydroxy-5-methoxy-phenyl)sulfamoyl]benzoate Formula: C15H11N2NaO6S MolecularWeight: 370.31241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C#N)O.[Na+]

Isomeric SMILES

COC1=C(C(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C#N)O.[Na+]

InChI

InChI=1S/C15H12N2O6S.Na/c1-23-13-7-11(5-10(8-16)14(13)18)17-24(21,22)12-4-2-3-9(6-12)15(19)20;/h2-7,17-18H,1H3,(H,19,20);/q;+1/p-1