[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[methyl-(1-methyl-4-piperidyl)sulfamoyl]benzenesulfonate CAS Name: 2-[methyl-(1-methyl-4-piperidinyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]benzenesulfonate Traditional Name: 2-[methyl-(1-methyl-4-piperidyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C23H33N3O7S2 MolecularWeight: 527.65402

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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)C3CCN(CC3)C)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C3CCN(CC3)C)OCCCON

InChI

InChI=1S/C23H33N3O7S2/c1-18-15-20(31-13-6-14-32-24)17-21(16-18)33-35(29,30)23-8-5-4-7-22(23)34(27,28)26(3)19-9-11-25(2)12-10-19/h4-5,7-8,15-17,19H,6,9-14,24H2,1-3H3