3-[[4-[2-(4-bromanylphenoxy)propanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(4-bromanylphenoxy)propanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[2-(4-bromophenoxy)propanoylamino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(4-bromophenoxy)-1-oxopropyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[2-(4-bromophenoxy)propanoylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[2-(4-bromophenoxy)propanoylamino]phenyl]sulfonylamino]propionic acid Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O6S/c1-12(27-15-6-2-13(19)3-7-15)18(24)21-14-4-8-16(9-5-14)28(25,26)20-11-10-17(22)23/h2-9,12,20H,10-11H2,1H3,(H,21,24)(H,22,23)