[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] butane-1-sulfonate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] butane-1-sulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-5-7-10-23(20,21)22-17-12-15(6-2)18-19(17)16-9-8-13(3)11-14(16)4/h8-9,11-12H,5-7,10H2,1-4H3