sodium 3-[[(8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]benzenesulfonate

Systemtic Name: sodium 3-[[(8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]benzenesulfonate Openeye Name: sodium 3-[[(8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-1-naphthyl]sulfamoyl]benzenesulfonate CAS Name: sodium 3-[[(8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]sulfamoyl]benzenesulfonate IUPAC Name: sodium 3-[[(8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalen-1-yl]sulfamoyl]benzenesulfonate Traditional Name: sodium 3-[[(8E)-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]-1-naphthyl]sulfamoyl]besylate Formula: C23H17N4NaO10S3 MolecularWeight: 628.58665

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NN=C2C=CC(=O)C3=C2C(=CC=C3)NS(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C=CC(=O)C3=C2C(=CC=C3)NS(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H18N4O10S3.Na/c1-38(31,32)22-12-14(27(29)30)8-9-18(22)24-25-19-10-11-21(28)17-6-3-7-20(23(17)19)26-39(33,34)15-4-2-5-16(13-15)40(35,36)37;/h2-13,24,26H,1H3,(H,35,36,37);/q;+1/p-1/b25-19+;