4-[[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]azobenzoic acid CAS Name: 4-[[3,5-dimethyl-1-(4-sulfamoylphenyl)-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]azobenzoic acid Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)N=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)N=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N5O4S/c1-11-17(21-20-14-5-3-13(4-6-14)18(24)25)12(2)23(22-11)15-7-9-16(10-8-15)28(19,26)27/h3-10H,1-2H3,(H,24,25)(H2,19,26,27)