sodium 3-[[(8E)-6-chloranyl-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]benzenesulfonate

Systemtic Name: sodium 3-[[(8E)-6-chloranyl-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]benzenesulfonate Openeye Name: sodium 3-[[(8E)-6-chloro-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-1-naphthyl]sulfamoyl]benzenesulfonate CAS Name: sodium 3-[[(8E)-6-chloro-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]sulfamoyl]benzenesulfonate IUPAC Name: sodium 3-[[(8E)-6-chloro-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalen-1-yl]sulfamoyl]benzenesulfonate Traditional Name: sodium 3-[[(8E)-6-chloro-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]-1-naphthyl]sulfamoyl]besylate Formula: C23H16ClN4NaO10S3 MolecularWeight: 663.03171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O10S3.Na/c1-39(32,33)21-10-13(28(30)31)8-9-18(21)25-26-20-12-17(24)23(29)16-6-3-7-19(22(16)20)27-40(34,35)14-4-2-5-15(11-14)41(36,37)38;/h2-12,25,27H,1H3,(H,36,37,38);/q;+1/p-1/b26-20+;