[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-pyridin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,6-dimethyl-3-(4-methylphenyl)sulfonyl-pyridin-2-yl] 4-methylbenzenesulfonate Openeye Name: [4,6-dimethyl-3-(p-tolylsulfonyl)-2-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl] ester IUPAC Name: [4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,6-dimethyl-3-tosyl-2-pyridyl) ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO5S2/c1-14-5-9-18(10-6-14)28(23,24)20-16(3)13-17(4)22-21(20)27-29(25,26)19-11-7-15(2)8-12-19/h5-13H,1-4H3