2-[[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoate

Systemtic Name: 2-[[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoate Openeye Name: 2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]sulfamoyl]benzoate CAS Name: 2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]sulfamoyl]benzoate IUPAC Name: 2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]sulfamoyl]benzoate Traditional Name: 2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]sulfamoyl]benzoate Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])O

InChI

InChI=1S/C17H19NO6S/c1-12-6-8-14(9-7-12)24-11-13(19)10-18-25(22,23)16-5-3-2-4-15(16)17(20)21/h2-9,13,18-19H,10-11H2,1H3,(H,20,21)/p-1/t13-/m0/s1