5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-5-(p-tolylsulfonylcarbamoylamino)pyrazole-4-carboxylic acid CAS Name: 5-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 1-phenyl-5-(tosylcarbamoylamino)pyrazole-4-carboxylic acid Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N4O5S/c1-12-7-9-14(10-8-12)28(26,27)21-18(25)20-16-15(17(23)24)11-19-22(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24)(H2,20,21,25)