[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[3-(dimethylamino)propyl-methyl-sulfamoyl]benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[3-(dimethylamino)propyl-methyl-sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[3-(dimethylamino)propyl-methyl-sulfamoyl]benzenesulfonate CAS Name: 2-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonate Traditional Name: 2-[3-(dimethylamino)propyl-methyl-sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C22H33N3O7S2 MolecularWeight: 515.64332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)CCCN(C)C)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)CCCN(C)C)OCCCON

InChI

InChI=1S/C22H33N3O7S2/c1-18-15-19(30-13-8-14-31-23)17-20(16-18)32-34(28,29)22-10-6-5-9-21(22)33(26,27)25(4)12-7-11-24(2)3/h5-6,9-10,15-17H,7-8,11-14,23H2,1-4H3