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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)C(C)C

InChI

InChI=1S/C21H24N2O3S/c1-14(2)19-13-21(23(22-19)20-8-6-7-16(4)17(20)5)26-27(24,25)18-11-9-15(3)10-12-18/h6-14H,1-5H3