[4-(4-butyl-5-ethylsulfonyloxy-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] ethanoate

Systemtic Name: [4-(4-butyl-5-ethylsulfonyloxy-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] ethanoate Openeye Name: [4-(4-butyl-5-ethylsulfonyloxy-3-oxo-2-phenyl-pyrazol-1-yl)phenyl] acetate CAS Name: acetic acid [4-(4-butyl-5-ethylsulfonyloxy-3-oxo-2-phenyl-1-pyrazolyl)phenyl] ester IUPAC Name: [4-(4-butyl-5-ethylsulfonyloxy-3-oxo-2-phenylpyrazol-1-yl)phenyl] acetate Traditional Name: acetic acid [4-(4-butyl-5-esyloxy-3-keto-2-phenyl-3-pyrazolin-1-yl)phenyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-4-6-12-21-22(27)24(18-10-8-7-9-11-18)25(23(21)31-32(28,29)5-2)19-13-15-20(16-14-19)30-17(3)26/h7-11,13-16H,4-6,12H2,1-3H3