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

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl(methyl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl(methyl)sulfamoyl]benzenesulfonate CAS Name: 2-[2-dimethylaminoethyl(methyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[2-dimethylaminoethyl(methyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[2-dimethylaminoethyl(methyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C21H31N3O7S2 MolecularWeight: 501.61674

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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)CCN(C)C)OCCCON

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7S2/c1-17-14-18(29-12-7-13-30-22)16-19(15-17)31-33(27,28)21-9-6-5-8-20(21)32(25,26)24(4)11-10-23(2)3/h5-6,8-9,14-16H,7,10-13,22H2,1-4H3