sodium 4-[3-methyl-4-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[3-methyl-4-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[3-methyl-4-[4-methyl-3-(p-tolylsulfamoyl)phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[3-methyl-4-[4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[3-methyl-4-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-3-methyl-4-[4-methyl-3-(p-tolylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylate Formula: C24H22N5NaO6S2 MolecularWeight: 563.58115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C24H23N5O6S2.Na/c1-15-4-7-18(8-5-15)28-36(31,32)22-14-19(9-6-16(22)2)25-26-23-17(3)27-29(24(23)30)20-10-12-21(13-11-20)37(33,34)35;/h4-14,23,28H,1-3H3,(H,33,34,35);/q;+1/p-1