2,5-bis(chloranyl)-4-[3-methyl-5-oxidanylidene-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-[3-methyl-5-oxidanylidene-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[3-methyl-5-oxo-4-[3-(phenylsulfamoyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[3-methyl-5-oxo-4-[[3-(phenylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[5-keto-3-methyl-4-[3-(phenylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]besylic acid Formula: C22H17Cl2N5O6S2 MolecularWeight: 582.43628

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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=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C22H17Cl2N5O6S2/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-15-8-5-9-16(10-15)36(31,32)28-14-6-3-2-4-7-14/h2-12,21,28H,1H3,(H,33,34,35)