[2-(4-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C18H16BrClN2O3S MolecularWeight: 455.75324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrClN2O3S/c1-12(2)17-11-18(22(21-17)15-7-5-14(20)6-8-15)25-26(23,24)16-9-3-13(19)4-10-16/h3-12H,1-2H3