2-methylpropyl 2-[5-(2-acetyloxyethoxy)-4-iodanyl-2-methyl-pyrazol-3-yl]-2-(2-tert-butylphenyl)sulfonyl-ethanoate

Systemtic Name: 2-methylpropyl 2-[5-(2-acetyloxyethoxy)-4-iodanyl-2-methyl-pyrazol-3-yl]-2-(2-tert-butylphenyl)sulfonyl-ethanoate Openeye Name: isobutyl 2-[5-(2-acetoxyethoxy)-4-iodo-2-methyl-pyrazol-3-yl]-2-(2-tert-butylphenyl)sulfonyl-acetate CAS Name: 2-[5-(2-acetyloxyethoxy)-4-iodo-2-methyl-3-pyrazolyl]-2-(2-tert-butylphenyl)sulfonylacetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(2-acetyloxyethoxy)-4-iodo-2-methylpyrazol-3-yl]-2-(2-tert-butylphenyl)sulfonylacetate Traditional Name: 2-[5-(2-acetoxyethoxy)-4-iodo-2-methyl-pyrazol-3-yl]-2-(2-tert-butylphenyl)sulfonyl-acetic acid isobutyl ester Formula: C24H33IN2O7S MolecularWeight: 620.49749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C1=C(C(=NN1C)OCCOC(=O)C)I)S(=O)(=O)C2=CC=CC=C2C(C)(C)C

Isomeric SMILES

CC(C)COC(=O)C(C1=C(C(=NN1C)OCCOC(=O)C)I)S(=O)(=O)C2=CC=CC=C2C(C)(C)C

InChI

InChI=1S/C24H33IN2O7S/c1-15(2)14-34-23(29)21(35(30,31)18-11-9-8-10-17(18)24(4,5)6)20-19(25)22(26-27(20)7)33-13-12-32-16(3)28/h8-11,15,21H,12-14H2,1-7H3