(2-phenyl-5-propyl-pyrazol-3-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (2-phenyl-5-propyl-pyrazol-3-yl) 4-chloranylbenzenesulfonate Openeye Name: (2-phenyl-5-propyl-pyrazol-3-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (2-phenyl-5-propyl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propylpyrazol-3-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-phenyl-5-propyl-pyrazol-3-yl) ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O3S/c1-2-6-15-13-18(21(20-15)16-7-4-3-5-8-16)24-25(22,23)17-11-9-14(19)10-12-17/h3-5,7-13H,2,6H2,1H3