2-(3,5-dimethylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3,5-dimethyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(3,5-dimethylpyrazol-1-yl)ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CC(=N2)C)C

InChI

InChI=1S/C14H18N2O3S/c1-11-4-6-14(7-5-11)20(17,18)19-9-8-16-13(3)10-12(2)15-16/h4-7,10H,8-9H2,1-3H3