[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl(ethyl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl(ethyl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl(ethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[2-dimethylaminoethyl(ethyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[2-dimethylaminoethyl(ethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[2-dimethylaminoethyl(ethyl)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:

CCN(CCN(C)C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCCCON)C

Isomeric SMILES

CCN(CCN(C)C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)OCCCON)C

InChI

InChI=1S/C22H33N3O7S2/c1-5-25(12-11-24(3)4)33(26,27)21-9-6-7-10-22(21)34(28,29)32-20-16-18(2)15-19(17-20)30-13-8-14-31-23/h6-7,9-10,15-17H,5,8,11-14,23H2,1-4H3