5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-methyl-benzoic acid Formula: C18H20BrNO6S MolecularWeight: 458.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2Br)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2Br)OC)OC)C(=O)O

InChI

InChI=1S/C18H20BrNO6S/c1-11-4-5-13(9-14(11)18(21)22)27(23,24)20-7-6-12-8-16(25-2)17(26-3)10-15(12)19/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)