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

Systemtic Name: sodium 4-chloranyl-3-[3-methyl-5-oxidanylidene-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-chloro-3-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-chloro-3-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-chloro-3-[3-methyl-5-oxo-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-chloro-3-[5-keto-3-methyl-4-[3-(phenylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylate Formula: C22H17ClN5NaO6S2 MolecularWeight: 569.97305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C22H18ClN5O6S2.Na/c1-14-21(22(29)28(26-14)20-13-18(36(32,33)34)10-11-19(20)23)25-24-16-8-5-9-17(12-16)35(30,31)27-15-6-3-2-4-7-15;/h2-13,21,27H,1H3,(H,32,33,34);/q;+1/p-1