sodium (8E)-4-acetamido-8-[(2-methoxy-5-sulfamoyl-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium (8E)-4-acetamido-8-[(2-methoxy-5-sulfamoyl-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium (8E)-4-acetamido-8-[(2-methoxy-5-sulfamoyl-phenyl)hydrazono]-5-oxo-naphthalene-1-sulfonate CAS Name: sodium (8E)-4-acetamido-8-[(2-methoxy-5-sulfamoylphenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfonate IUPAC Name: sodium (8E)-4-acetamido-8-[(2-methoxy-5-sulfamoylphenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate Traditional Name: sodium (8E)-4-acetamido-5-keto-8-[(2-methoxy-5-sulfamoyl-phenyl)hydrazono]naphthalene-1-sulfonate Formula: C19H17N4NaO8S2 MolecularWeight: 516.48005

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=O)C=CC(=NNC3=C(C=CC(=C3)S(=O)(=O)N)OC)C2=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=O)C=C/C(=N\NC3=C(C=CC(=C3)S(=O)(=O)N)OC)/C2=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N4O8S2.Na/c1-10(24)21-12-5-8-17(33(28,29)30)19-13(4-6-15(25)18(12)19)22-23-14-9-11(32(20,26)27)3-7-16(14)31-2;/h3-9,23H,1-2H3,(H,21,24)(H2,20,26,27)(H,28,29,30);/q;+1/p-1/b22-13+;