5-(4-methylsulfonylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C(=O)O

InChI

InChI=1S/C19H17N3O5S/c1-28(26,27)16-8-2-13(3-9-16)18-12-17(19(24)25)21-22(18)15-6-4-14(5-7-15)20-10-11-23/h2-9,11-12,20H,10H2,1H3,(H,24,25)