2-[(E)-[3,5-bis(bromanyl)-4-[3-(diethylsulfamoyl)-4-oxidanyl-phenoxy]phenyl]methylideneamino]oxypropanoic acid

Systemtic Name: 2-[(E)-[3,5-bis(bromanyl)-4-[3-(diethylsulfamoyl)-4-oxidanyl-phenoxy]phenyl]methylideneamino]oxypropanoic acid Openeye Name: 2-[(E)-[3,5-dibromo-4-[3-(diethylsulfamoyl)-4-hydroxy-phenoxy]phenyl]methyleneamino]oxypropanoic acid CAS Name: 2-[(E)-[3,5-dibromo-4-[3-(diethylsulfamoyl)-4-hydroxyphenoxy]phenyl]methylideneamino]oxypropanoic acid IUPAC Name: 2-[(E)-[3,5-dibromo-4-[3-(diethylsulfamoyl)-4-hydroxyphenoxy]phenyl]methylideneamino]oxypropanoic acid Traditional Name: 2-[(E)-[3,5-dibromo-4-[3-(diethylsulfamoyl)-4-hydroxy-phenoxy]benzylidene]amino]oxypropionic acid Formula: C20H22Br2N2O7S MolecularWeight: 594.27088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C=NOC(C)C(=O)O)Br)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)/C=N/OC(C)C(=O)O)Br)O

InChI

InChI=1S/C20H22Br2N2O7S/c1-4-24(5-2)32(28,29)18-10-14(6-7-17(18)25)30-19-15(21)8-13(9-16(19)22)11-23-31-12(3)20(26)27/h6-12,25H,4-5H2,1-3H3,(H,26,27)/b23-11+