[2-(4-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-isopropyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C(C)C)C

InChI

InChI=1S/C21H23ClN2O3S/c1-13(2)19-12-20(24(23-19)18-8-6-17(22)7-9-18)27-28(25,26)21-15(4)10-14(3)11-16(21)5/h6-13H,1-5H3