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

Systemtic Name: (2-phenyl-5-propyl-pyrazol-3-yl) butane-1-sulfonate Openeye Name: (2-phenyl-5-propyl-pyrazol-3-yl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (2-phenyl-5-propylpyrazol-3-yl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (2-phenyl-5-propyl-pyrazol-3-yl) ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-3-5-12-22(19,20)21-16-13-14(9-4-2)17-18(16)15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3