2-[(E)-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]methylideneamino]oxyethanoic acid

Systemtic Name: 2-[(E)-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]methylideneamino]oxyethanoic acid Openeye Name: 2-[(E)-[3,5-dibromo-4-(4-hydroxy-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]methyleneamino]oxyacetic acid CAS Name: 2-[(E)-[3,5-dibromo-4-[4-hydroxy-3-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]methylideneamino]oxyacetic acid IUPAC Name: 2-[(E)-[3,5-dibromo-4-(4-hydroxy-3-pyrrolidin-1-ylsulfonylphenoxy)phenyl]methylideneamino]oxyacetic acid Traditional Name: 2-[(E)-[3,5-dibromo-4-(4-hydroxy-3-pyrrolidinosulfonyl-phenoxy)benzylidene]amino]oxyacetic acid Formula: C19H18Br2N2O7S MolecularWeight: 578.22842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)C=NOCC(=O)O)Br)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)/C=N/OCC(=O)O)Br)O

InChI

InChI=1S/C19H18Br2N2O7S/c20-14-7-12(10-22-29-11-18(25)26)8-15(21)19(14)30-13-3-4-16(24)17(9-13)31(27,28)23-5-1-2-6-23/h3-4,7-10,24H,1-2,5-6,11H2,(H,25,26)/b22-10+