2-bromanyl-5-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]benzoic acid Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C18H20BrNO5S/c1-12-8-13(2)10-14(9-12)25-7-6-20(3)26(23,24)15-4-5-17(19)16(11-15)18(21)22/h4-5,8-11H,6-7H2,1-3H3,(H,21,22)