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

Systemtic Name: [4-[4-butyl-5-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] ethanoate Openeye Name: [4-[4-butyl-3-oxo-2-phenyl-5-(p-tolylsulfonyloxy)pyrazol-1-yl]phenyl] acetate CAS Name: acetic acid [4-[4-butyl-5-(4-methylphenyl)sulfonyloxy-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-(4-methylphenyl)sulfonyloxy-3-oxo-2-phenylpyrazol-1-yl]phenyl] acetate Traditional Name: acetic acid [4-(4-butyl-3-keto-2-phenyl-5-tosyloxy-3-pyrazolin-1-yl)phenyl] ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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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)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H28N2O6S/c1-4-5-11-26-27(32)29(22-9-7-6-8-10-22)30(23-14-16-24(17-15-23)35-21(3)31)28(26)36-37(33,34)25-18-12-20(2)13-19-25/h6-10,12-19H,4-5,11H2,1-3H3