2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-pyridin-2-ylethanoylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-pyridin-2-ylethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(2-pyridyl)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[1-oxo-2-(2-pyridinyl)ethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-pyridin-2-ylacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(2-pyridyl)acetyl]amino]hexanoic acid Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H26BrN3O5S/c26-20-11-7-18(8-12-20)19-9-13-22(14-10-19)35(33,34)29-23(25(31)32)6-2-4-16-28-24(30)17-21-5-1-3-15-27-21/h1,3,5,7-15,23,29H,2,4,6,16-17H2,(H,28,30)(H,31,32)