4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid; sodium

Systemtic Name: 4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid; sodium Openeye Name: 4-[3-methyl-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid; sodium CAS Name: 4-[3-methyl-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid; sodium IUPAC Name: 4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid; sodium Traditional Name: 4-[5-keto-3-methyl-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylic acid; sodium Formula: C23H21N5NaO6S2 MolecularWeight: 550.56251

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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)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)S(=O)(=O)NC4=CC=CC=C4.[Na]

InChI

InChI=1S/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,22,27H,1-2H3,(H,32,33,34);