1-[3-(hydroxymethyl)-4-sulfamoyl-phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-(hydroxymethyl)-4-sulfamoyl-phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[3-(hydroxymethyl)-4-sulfamoyl-phenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[3-(hydroxymethyl)-4-sulfamoylphenyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-(hydroxymethyl)-4-sulfamoylphenyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-methoxyphenyl)-1-(3-methylol-4-sulfamoyl-phenyl)pyrazole-3-carboxylic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(=O)O

InChI

InChI=1S/C18H17N3O6S/c1-27-14-5-2-11(3-6-14)16-9-15(18(23)24)20-21(16)13-4-7-17(28(19,25)26)12(8-13)10-22/h2-9,22H,10H2,1H3,(H,23,24)(H2,19,25,26)