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

Systemtic Name: 2,5-bis(chloranyl)-4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[4-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[4-[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[4-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C25H23Cl2N5O6S2 MolecularWeight: 624.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl)C)C

InChI

InChI=1S/C25H23Cl2N5O6S2/c1-4-31(18-8-6-5-7-9-18)39(34,35)22-12-17(11-10-15(22)2)28-29-24-16(3)30-32(25(24)33)21-13-20(27)23(14-19(21)26)40(36,37)38/h5-14,24H,4H2,1-3H3,(H,36,37,38)