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

Systemtic Name: sodium 3-[[(8Z)-6-ethoxy-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]benzenesulfonate Openeye Name: sodium 3-[[(8Z)-6-ethoxy-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-1-naphthyl]sulfamoyl]benzenesulfonate CAS Name: sodium 3-[[(8Z)-6-ethoxy-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]sulfamoyl]benzenesulfonate IUPAC Name: sodium 3-[[(8Z)-6-ethoxy-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalen-1-yl]sulfamoyl]benzenesulfonate Traditional Name: sodium 3-[[(8Z)-6-ethoxy-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]-1-naphthyl]sulfamoyl]besylate Formula: C25H21N4NaO11S3 MolecularWeight: 672.63921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)C3=C(C1=O)C=CC=C3NS(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=C/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)/C3=C(C1=O)C=CC=C3NS(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H22N4O11S3.Na/c1-3-40-22-14-21(27-26-19-11-10-15(29(31)32)12-23(19)41(2,33)34)24-18(25(22)30)8-5-9-20(24)28-42(35,36)16-6-4-7-17(13-16)43(37,38)39;/h4-14,26,28H,3H2,1-2H3,(H,37,38,39);/q;+1/p-1/b27-21-;