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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C18H19BrN2O6S/c19-13-2-1-3-15(12-13)27-11-9-17(22)21-14-4-6-16(7-5-14)28(25,26)20-10-8-18(23)24/h1-7,12,20H,8-11H2,(H,21,22)(H,23,24)