[3-[cyclopropylmethoxy(methyl)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[cyclopropylmethoxy(methyl)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[cyclopropylmethoxy(methyl)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[cyclopropylmethoxy(methyl)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[cyclopropylmethoxy(methyl)amino]oxy-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[cyclopropylmethoxy(methyl)amino]oxy-5-methyl-phenyl] ester Formula: C19H23NO7S2 MolecularWeight: 441.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)ON(C)OCC3CC3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)ON(C)OCC3CC3

InChI

InChI=1S/C19H23NO7S2/c1-14-10-16(26-20(2)25-13-15-8-9-15)12-17(11-14)27-29(23,24)19-7-5-4-6-18(19)28(3,21)22/h4-7,10-12,15H,8-9,13H2,1-3H3