[3-(3-azanyloxypropoxy)-5-methoxy-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methoxy-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methoxy-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methoxyphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methoxyphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methoxy-phenyl] ester Formula: C17H21NO8S2 MolecularWeight: 431.48054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON

Isomeric SMILES

COC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON

InChI

InChI=1S/C17H21NO8S2/c1-23-13-10-14(24-8-5-9-25-18)12-15(11-13)26-28(21,22)17-7-4-3-6-16(17)27(2,19)20/h3-4,6-7,10-12H,5,8-9,18H2,1-2H3