5-[[4-[(E)-2-cyanoethenyl]sulfonylphenyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[4-[(E)-2-cyanoethenyl]sulfonylphenyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[4-[(E)-2-cyanovinyl]sulfonylphenyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[4-[(E)-2-cyanoethenyl]sulfonylphenyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[4-[(E)-2-cyanoethenyl]sulfonylphenyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[4-[(E)-2-cyanovinyl]sulfonylphenyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C16H12N2O7S2 MolecularWeight: 408.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)C=CC#N

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)/C=C/C#N

InChI

InChI=1S/C16H12N2O7S2/c17-8-1-9-26(22,23)12-4-2-11(3-5-12)18-27(24,25)13-6-7-15(19)14(10-13)16(20)21/h1-7,9-10,18-19H,(H,20,21)/b9-1+