2-[[3-(2-butan-2-ylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-butan-2-ylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-3-(2-sec-butylphenoxy)propyl]sulfamoyl]benzoic acid CAS Name: 2-[[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-3-(2-sec-butylphenoxy)propyl]sulfamoyl]benzoic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C20H25NO6S/c1-3-14(2)16-8-4-6-10-18(16)27-13-15(22)12-21-28(25,26)19-11-7-5-9-17(19)20(23)24/h4-11,14-15,21-22H,3,12-13H2,1-2H3,(H,23,24)