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

Systemtic Name: 4-chloranyl-3-[3-methyl-5-oxidanylidene-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-chloro-3-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-chloro-3-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-chloro-3-[3-methyl-5-oxo-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-chloro-3-[5-keto-3-methyl-4-[3-(phenylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylic acid Formula: C22H18ClN5O6S2 MolecularWeight: 547.99122

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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

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

InChI

InChI=1S/C22H18ClN5O6S2/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)