(2-phenyl-5-propyl-pyrazol-3-yl) benzenesulfonate

Systemtic Name: (2-phenyl-5-propyl-pyrazol-3-yl) benzenesulfonate Openeye Name: (2-phenyl-5-propyl-pyrazol-3-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2-phenyl-5-propyl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propylpyrazol-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-phenyl-5-propyl-pyrazol-3-yl) ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-2-9-15-14-18(20(19-15)16-10-5-3-6-11-16)23-24(21,22)17-12-7-4-8-13-17/h3-8,10-14H,2,9H2,1H3