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

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[methyl(phenethyl)sulfamoyl]benzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 2-[methyl(phenethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[methyl(phenethyl)sulfamoyl]benzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S2/c1-17-14-19(24)16-20(15-17)29-31(27,28)22-11-7-6-10-21(22)30(25,26)23(2)13-12-18-8-4-3-5-9-18/h3-11,14-16,24H,12-13H2,1-2H3