[acetyloxy-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-$l^{3}-iodanyl] ethanoate

Systemtic Name: [acetyloxy-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-$l^{3}-iodanyl] ethanoate Openeye Name: [acetoxy-[1-(p-tolylsulfonyl)pyrazol-4-yl]-$l^{3}-iodanyl] acetate CAS Name: acetic acid [acetyloxy-[1-(4-methylphenyl)sulfonyl-4-pyrazolyl]-$l^{3}-iodanyl] ester IUPAC Name: [acetyloxy-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-$l^{3}-iodanyl] acetate Traditional Name: acetic acid [acetoxy-(1-tosylpyrazol-4-yl)iodinanyl] ester Formula: C14H15IN2O6S MolecularWeight: 466.24817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)I(OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)I(OC(=O)C)OC(=O)C

InChI

InChI=1S/C14H15IN2O6S/c1-10-4-6-14(7-5-10)24(20,21)17-9-13(8-16-17)15(22-11(2)18)23-12(3)19/h4-9H,1-3H3