sodium (8E)-4-benzamido-5-oxidanylidene-8-[[4-(phenylsulfonylsulfamoyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: sodium (8E)-4-benzamido-5-oxidanylidene-8-[[4-(phenylsulfonylsulfamoyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate Openeye Name: sodium (8E)-4-benzamido-8-[[4-(benzenesulfonylsulfamoyl)phenyl]hydrazono]-5-oxo-naphthalene-1-sulfonate CAS Name: sodium (8E)-4-benzamido-8-[[4-(benzenesulfonylsulfamoyl)phenyl]hydrazinylidene]-5-oxo-1-naphthalenesulfonate IUPAC Name: sodium (8E)-4-benzamido-8-[[4-(benzenesulfonylsulfamoyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1-sulfonate Traditional Name: sodium (8E)-4-benzamido-8-[[4-(besylsulfamoyl)phenyl]hydrazono]-5-keto-naphthalene-1-sulfonate Formula: C29H21N4NaO9S3 MolecularWeight: 688.68321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=O)C=CC(=NNC4=CC=C(C=C4)S(=O)(=O)NS(=O)(=O)C5=CC=CC=C5)C3=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=O)C=C/C(=N\NC4=CC=C(C=C4)S(=O)(=O)NS(=O)(=O)C5=CC=CC=C5)/C3=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C29H22N4O9S3.Na/c34-25-17-15-24(28-26(45(40,41)42)18-16-23(27(25)28)30-29(35)19-7-3-1-4-8-19)32-31-20-11-13-22(14-12-20)44(38,39)33-43(36,37)21-9-5-2-6-10-21;/h1-18,31,33H,(H,30,35)(H,40,41,42);/q;+1/p-1/b32-24+;