4-[4-[[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-[[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-[3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[4-[[3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C25H25N5O6S2 MolecularWeight: 555.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)C

InChI

InChI=1S/C25H25N5O6S2/c1-4-18-7-5-6-8-22(18)29-37(32,33)23-15-19(10-9-16(23)2)26-27-24-17(3)28-30(25(24)31)20-11-13-21(14-12-20)38(34,35)36/h5-15,24,29H,4H2,1-3H3,(H,34,35,36)