[2-(3-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] benzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] benzenesulfonate Openeye Name: [5-isopropyl-2-(m-tolyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(3-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-isopropyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-14(2)18-13-19(21(20-18)16-9-7-8-15(3)12-16)24-25(22,23)17-10-5-4-6-11-17/h4-14H,1-3H3