sodium 2,5-bis(chloranyl)-4-[3-methyl-5-oxidanylidene-4-[[3-(phenethylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-[3-methyl-5-oxidanylidene-4-[[3-(phenethylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 2,5-dichloro-4-[3-methyl-5-oxo-4-[3-(phenethylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 2,5-dichloro-4-[3-methyl-5-oxo-4-[3-(phenethylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 2,5-dichloro-4-[3-methyl-5-oxo-4-[[3-(phenethylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 2,5-dichloro-4-[5-keto-3-methyl-4-[3-(phenethylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylate Formula: C24H20Cl2N5NaO6S2 MolecularWeight: 632.47127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NCCC3=CC=CC=C3)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NCCC3=CC=CC=C3)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C24H21Cl2N5O6S2.Na/c1-15-23(24(32)31(30-15)21-13-20(26)22(14-19(21)25)39(35,36)37)29-28-17-8-5-9-18(12-17)38(33,34)27-11-10-16-6-3-2-4-7-16;/h2-9,12-14,23,27H,10-11H2,1H3,(H,35,36,37);/q;+1/p-1