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

Systemtic Name: 4-[[1-[4-(ethanoylsulfamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[1-[4-(acetylsulfamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]azobenzoic acid CAS Name: 4-[[1-[4-(acetylsulfamoyl)phenyl]-3,5-dimethyl-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[1-[4-(acetylsulfamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[1-[4-(acetylsulfamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]azobenzoic acid Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c1-12-19(22-21-16-6-4-15(5-7-16)20(27)28)13(2)25(23-12)17-8-10-18(11-9-17)31(29,30)24-14(3)26/h4-11H,1-3H3,(H,24,26)(H,27,28)