[2-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate

Systemtic Name: [2-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate Openeye Name: [2-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [2-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrazol-3-yl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [2-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2CCC3=CC(=C(C=C3)Cl)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2CCC3=CC(=C(C=C3)Cl)Cl)C)C

InChI

InChI=1S/C20H20Cl2N2O3S/c1-13-4-6-17(10-14(13)2)28(25,26)27-20-11-15(3)23-24(20)9-8-16-5-7-18(21)19(22)12-16/h4-7,10-12H,8-9H2,1-3H3