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

Systemtic Name: 2-[[4-[3-(3-bromanylphenoxy)propanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[3-(3-bromophenoxy)propanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[3-(3-bromophenoxy)-1-oxopropyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[3-(3-bromophenoxy)propanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[3-(3-bromophenoxy)propanoylamino]phenyl]sulfonylamino]acetic acid Formula: C17H17BrN2O6S MolecularWeight: 457.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O6S/c18-12-2-1-3-14(10-12)26-9-8-16(21)20-13-4-6-15(7-5-13)27(24,25)19-11-17(22)23/h1-7,10,19H,8-9,11H2,(H,20,21)(H,22,23)