[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-[2-(o-tolyl)ethylsulfamoyl]benzenesulfonate CAS Name: 2-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-[2-(2-methylphenyl)ethylsulfamoyl]benzenesulfonate Traditional Name: 2-[2-(o-tolyl)ethylsulfamoyl]benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C25H29NO7S2 MolecularWeight: 519.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCCCO)C

Isomeric SMILES

CC1=CC=CC=C1CCNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCCCO)C

InChI

InChI=1S/C25H29NO7S2/c1-19-16-22(32-15-7-14-27)18-23(17-19)33-35(30,31)25-11-6-5-10-24(25)34(28,29)26-13-12-21-9-4-3-8-20(21)2/h3-6,8-11,16-18,26-27H,7,12-15H2,1-2H3