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

Systemtic Name: 2-[[4-[2-(3-bromanylphenoxy)ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(3-bromophenoxy)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-(3-bromophenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(3-bromophenoxy)acetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-(3-bromophenoxy)acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C16H15BrN2O6S MolecularWeight: 443.2691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O6S/c17-11-2-1-3-13(8-11)25-10-15(20)19-12-4-6-14(7-5-12)26(23,24)18-9-16(21)22/h1-8,18H,9-10H2,(H,19,20)(H,21,22)