2-[[3-(2-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-3-(4-isopropyl-2-methyl-phenoxy)propyl]sulfamoyl]benzoic acid CAS Name: 2-[[2-hydroxy-3-(2-methyl-4-propan-2-ylphenoxy)propyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-3-(2-methyl-4-propan-2-ylphenoxy)propyl]sulfamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-3-(4-isopropyl-2-methyl-phenoxy)propyl]sulfamoyl]benzoic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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