[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-methoxyethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-methoxyethanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)COC)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)COC)C(C)(C)C

InChI

InChI=1S/C17H22N2O5S/c1-12-15(25(21,22)13-9-7-6-8-10-13)16(24-14(20)11-23-5)19(18-12)17(2,3)4/h6-10H,11H2,1-5H3