[2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] ester Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O4S/c1-21(2,3)14-5-8-17(9-6-14)30(26,27)29-20-11-15(13-28-4)24-25(20)16-7-10-18(22)19(23)12-16/h5-12H,13H2,1-4H3