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

Systemtic Name: [3-(3-azanyloxypropoxy)-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-ethylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-ethylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-ethyl-phenyl] ester Formula: C18H23NO7S2 MolecularWeight: 429.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON

InChI

InChI=1S/C18H23NO7S2/c1-3-14-11-15(24-9-6-10-25-19)13-16(12-14)26-28(22,23)18-8-5-4-7-17(18)27(2,20)21/h4-5,7-8,11-13H,3,6,9-10,19H2,1-2H3