2-[[3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid Openeye Name: 2-[[3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]sulfamoyl]benzoic acid CAS Name: 2-[[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-[[3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]sulfamoyl]benzoic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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