[2-(3-azanyloxypropoxy)-4-methyl-phenyl] 3-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate

Systemtic Name: [2-(3-azanyloxypropoxy)-4-methyl-phenyl] 3-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate Openeye Name: [2-(3-aminooxypropoxy)-4-methyl-phenyl] 3-[2-(o-tolyl)ethylsulfamoyl]benzenesulfonate CAS Name: 3-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonic acid [2-(3-aminooxypropoxy)-4-methylphenyl] ester IUPAC Name: [2-(3-aminooxypropoxy)-4-methylphenyl] 3-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate Traditional Name: 3-[2-(o-tolyl)ethylsulfamoyl]benzenesulfonic acid [2-(3-aminooxypropoxy)-4-methyl-phenyl] ester Formula: C25H30N2O7S2 MolecularWeight: 534.6449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3C)OCCCON

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3C)OCCCON

InChI

InChI=1S/C25H30N2O7S2/c1-19-11-12-24(25(17-19)32-15-6-16-33-26)34-36(30,31)23-10-5-9-22(18-23)35(28,29)27-14-13-21-8-4-3-7-20(21)2/h3-5,7-12,17-18,27H,6,13-16,26H2,1-2H3