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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 2-phenylethenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C=CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O3S/c1-16(2)20-15-22(24(23-20)21-11-10-17(3)14-18(21)4)27-28(25,26)13-12-19-8-6-5-7-9-19/h5-16H,1-4H3