[2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 3-methylbenzenesulfonate

Systemtic Name: [2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 3-methylbenzenesulfonate Openeye Name: [2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenylpyrazol-3-yl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [2-[1-(3-chlorophenyl)ethyl]-5-methyl-4-phenyl-pyrazol-3-yl] ester Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C(=NN2C(C)C3=CC(=CC=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C(=NN2C(C)C3=CC(=CC=C3)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O3S/c1-17-9-7-14-23(15-17)32(29,30)31-25-24(20-10-5-4-6-11-20)18(2)27-28(25)19(3)21-12-8-13-22(26)16-21/h4-16,19H,1-3H3