2-[[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoate

Systemtic Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoate Openeye Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfamoyl]benzoate CAS Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoate IUPAC Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoate Traditional Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfamoyl]benzoate Formula: C18H20NO6S- MolecularWeight: 378.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-12-6-5-7-13(2)17(12)25-11-14(20)10-19-26(23,24)16-9-4-3-8-15(16)18(21)22/h3-9,14,19-20H,10-11H2,1-2H3,(H,21,22)/p-1/t14-/m0/s1