[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[methyl(phenethyl)sulfamoyl]benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[methyl(phenethyl)sulfamoyl]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(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)CCC3=CC=CC=C3)OCCCO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)CCC3=CC=CC=C3)OCCCO

InChI

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