[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-fluoranyl-4-methoxy-benzenesulfonate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-fluoranyl-4-methoxy-benzenesulfonate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 3-fluoro-4-methoxy-benzenesulfonate CAS Name: 3-fluoro-4-methoxybenzenesulfonic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 3-fluoro-4-methoxybenzenesulfonate Traditional Name: 3-fluoro-4-methoxy-benzenesulfonic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C21H20FNO6S2 MolecularWeight: 465.515003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO6S2/c1-15-4-10-18(11-5-15)30(24,25)23(2)16-6-8-17(9-7-16)29-31(26,27)19-12-13-21(28-3)20(22)14-19/h4-14H,1-3H3