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

Systemtic Name: sodium 4-[3-carboxy-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[3-carboxy-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[3-carboxy-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[3-carboxy-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[3-carboxy-5-keto-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylate Formula: C23H18N5NaO8S2 MolecularWeight: 579.53749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)NC4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)NC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H19N5O8S2.Na/c1-14-7-8-16(13-19(14)37(32,33)27-15-5-3-2-4-6-15)24-25-20-21(23(30)31)26-28(22(20)29)17-9-11-18(12-10-17)38(34,35)36;/h2-13,20,27H,1H3,(H,30,31)(H,34,35,36);/q;+1/p-1