[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[methyl(3-pyridylmethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[methyl(3-pyridinylmethyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[methyl(3-pyridylmethyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C23H27N3O7S2 MolecularWeight: 521.60638

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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)CC3=CN=CC=C3)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)CC3=CN=CC=C3)OCCCON

InChI

InChI=1S/C23H27N3O7S2/c1-18-13-20(31-11-6-12-32-24)15-21(14-18)33-35(29,30)23-9-4-3-8-22(23)34(27,28)26(2)17-19-7-5-10-25-16-19/h3-5,7-10,13-16H,6,11-12,17,24H2,1-2H3