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

Systemtic Name: [4-[4-butyl-5-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-3-oxo-2-phenyl-5-(p-tolylsulfonyloxy)pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-(4-butyl-3-keto-2-phenyl-5-tosyloxy-3-pyrazolin-1-yl)phenyl] ester Formula: C33H30N2O6S MolecularWeight: 582.6661

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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)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H30N2O6S/c1-3-4-15-30-31(36)34(26-13-9-6-10-14-26)35(32(30)41-42(38,39)29-22-16-24(2)17-23-29)27-18-20-28(21-19-27)40-33(37)25-11-7-5-8-12-25/h5-14,16-23H,3-4,15H2,1-2H3