2-bromanyl-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]benzoic acid Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO5S/c1-12-3-5-13(6-4-12)24-10-9-19(2)25(22,23)14-7-8-16(18)15(11-14)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,20,21)