[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(2-morpholin-4-ylethylsulfamoyl)benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(2-morpholin-4-ylethylsulfamoyl)benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-(2-morpholinoethylsulfamoyl)benzenesulfonate CAS Name: 2-[2-(4-morpholinyl)ethylsulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-(2-morpholin-4-ylethylsulfamoyl)benzenesulfonate Traditional Name: 2-(2-morpholinoethylsulfamoyl)benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C22H31N3O8S2 MolecularWeight: 529.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NCCN3CCOCC3)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NCCN3CCOCC3)OCCCON

InChI

InChI=1S/C22H31N3O8S2/c1-18-15-19(31-11-4-12-32-23)17-20(16-18)33-35(28,29)22-6-3-2-5-21(22)34(26,27)24-7-8-25-9-13-30-14-10-25/h2-3,5-6,15-17,24H,4,7-14,23H2,1H3