3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid Formula: C18H20BrNO6S MolecularWeight: 458.3235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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