[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-14-5-7-15(8-6-14)22-19(13-18(21-22)20(2,3)4)28-29(26,27)17-11-9-16(10-12-17)23(24)25/h5-13H,1-4H3