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

Systemtic Name: [5-(methoxymethyl)-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-(methoxymethyl)-2-(p-tolyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-(methoxymethyl)-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-(methoxymethyl)-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-(methoxymethyl)-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)COC)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)COC)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N2O4S/c1-16-6-10-19(11-7-16)24-21(14-18(23-24)15-27-5)28-29(25,26)20-12-8-17(9-13-20)22(2,3)4/h6-14H,15H2,1-5H3