[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-20(2,3)18-13-19(23(22-18)15-7-5-6-14(21)12-15)27-28(24,25)17-10-8-16(26-4)9-11-17/h5-13H,1-4H3