[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-(4-pyridylmethylsulfamoyl)benzenesulfonate CAS Name: 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate Traditional Name: 2-(4-pyridylmethylsulfamoyl)benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NCC3=CC=NC=C3)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NCC3=CC=NC=C3)OCCCON

InChI

InChI=1S/C22H25N3O7S2/c1-17-13-19(30-11-4-12-31-23)15-20(14-17)32-34(28,29)22-6-3-2-5-21(22)33(26,27)25-16-18-7-9-24-10-8-18/h2-3,5-10,13-15,25H,4,11-12,16,23H2,1H3