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

Systemtic Name: [4-(4-butyl-5-methylsulfonyloxy-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] ethanoate Openeye Name: [4-(4-butyl-5-methylsulfonyloxy-3-oxo-2-phenyl-pyrazol-1-yl)phenyl] acetate CAS Name: acetic acid [4-(4-butyl-5-methylsulfonyloxy-3-oxo-2-phenyl-1-pyrazolyl)phenyl] ester IUPAC Name: [4-(4-butyl-5-methylsulfonyloxy-3-oxo-2-phenylpyrazol-1-yl)phenyl] acetate Traditional Name: acetic acid [4-(4-butyl-3-keto-5-methylsulfonyloxy-2-phenyl-3-pyrazolin-1-yl)phenyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-4-5-11-20-21(26)23(17-9-7-6-8-10-17)24(22(20)30-31(3,27)28)18-12-14-19(15-13-18)29-16(2)25/h6-10,12-15H,4-5,11H2,1-3H3