[2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl] 4-cyclohexylbenzenesulfonate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl] 4-cyclohexylbenzenesulfonate Openeye Name: [2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl] 4-cyclohexylbenzenesulfonate CAS Name: 4-cyclohexylbenzenesulfonic acid [2-(2,5-dichlorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-5-methylpyrazol-3-yl] 4-cyclohexylbenzenesulfonate Traditional Name: 4-cyclohexylbenzenesulfonic acid [2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C22H22Cl2N2O3S MolecularWeight: 465.39268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O3S/c1-15-13-22(26(25-15)21-14-18(23)9-12-20(21)24)29-30(27,28)19-10-7-17(8-11-19)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3