tert-butyl 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: tert-butyl 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: tert-butyl 2-methyl-5-(4-methylsulfonylphenyl)-4-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-2-methyl-4-(4-pyridyl)pyrazole-3-carboxylic acid tert-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)19-17(14-10-12-22-13-11-14)18(23-24(19)4)15-6-8-16(9-7-15)29(5,26)27/h6-13H,1-5H3