(5-ethyl-2-phenyl-pyrazol-3-yl) butane-1-sulfonate

Systemtic Name: (5-ethyl-2-phenyl-pyrazol-3-yl) butane-1-sulfonate Openeye Name: (5-ethyl-2-phenyl-pyrazol-3-yl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (5-ethyl-2-phenylpyrazol-3-yl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (5-ethyl-2-phenyl-pyrazol-3-yl) ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=CC=C2)CC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=CC=C2)CC

InChI

InChI=1S/C15H20N2O3S/c1-3-5-11-21(18,19)20-15-12-13(4-2)16-17(15)14-9-7-6-8-10-14/h6-10,12H,3-5,11H2,1-2H3