[2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-2-phenylethenesulfonate

Systemtic Name: [2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-2-phenylethenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [2-(2-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OS(=O)(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1=NN(C(=C1)OS(=O)(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-15(2)18-14-20(23(22-18)19-11-7-6-10-17(19)21)26-27(24,25)13-12-16-8-4-3-5-9-16/h3-15H,1-2H3/b13-12+