(3E)-6-oxidanylidene-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3E)-6-oxidanylidene-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3E)-6-oxo-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-6-oxo-3-[[4-(2-pyridinylsulfamoyl)phenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3E)-6-keto-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C36H28N8O10S2 MolecularWeight: 796.78512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O.C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=C(C(=O)C=C3)C(=O)O.C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=C(C(=O)C=C3)C(=O)O

InChI

InChI=1S/2C18H14N4O5S/c2*23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h2*1-11,20H,(H,19,22)(H,24,25)/b2*21-13+