4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-[4-methyl-3-(phenylsulfamoyl)phenyl]azo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C23H19N5O8S2 MolecularWeight: 557.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H19N5O8S2/c1-14-7-8-16(13-19(14)37(32,33)27-15-5-3-2-4-6-15)24-25-20-21(23(30)31)26-28(22(20)29)17-9-11-18(12-10-17)38(34,35)36/h2-13,20,27H,1H3,(H,30,31)(H,34,35,36)