(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) methanesulfonate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) methanesulfonate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) methanesulfonate CAS Name: methanesulfonic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) methanesulfonate Traditional Name: methanesulfonic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-3-4-15-18-19(23)21(16-11-7-5-8-12-16)22(17-13-9-6-10-14-17)20(18)26-27(2,24)25/h5-14H,3-4,15H2,1-2H3