(2-phenyl-5-propyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2-phenyl-5-propyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2-phenyl-5-propyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-phenyl-5-propyl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-phenyl-5-propyl-pyrazol-3-yl) ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-5-9-18-14-20(23(22-18)19-10-7-6-8-11-19)26-27(24,25)21-16(3)12-15(2)13-17(21)4/h6-8,10-14H,5,9H2,1-4H3