[2-(2,3-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-16(2)21-15-23(26(25-21)22-10-8-9-17(3)18(22)4)29-30(27,28)20-13-11-19(12-14-20)24(5,6)7/h8-16H,1-7H3