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

Systemtic Name: [[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[1-(p-tolylsulfonyl)pyrazol-4-yl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[1-(4-methylphenyl)sulfonyl-4-pyrazolyl]-$l^{3}-iodanyl] ester IUPAC Name: [hydroxy-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-(1-tosylpyrazol-4-yl)iodinanyl] ester Formula: C17H17IN2O6S2 MolecularWeight: 536.36115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17IN2O6S2/c1-13-3-7-16(8-4-13)27(22,23)20-12-15(11-19-20)18(21)26-28(24,25)17-9-5-14(2)6-10-17/h3-12,21H,1-2H3