2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-pyridin-3-ylethanoylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-pyridin-3-ylethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(3-pyridyl)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[1-oxo-2-(3-pyridinyl)ethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(3-pyridyl)acetyl]amino]hexanoic acid Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=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(=CN=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/c26-21-10-6-19(7-11-21)20-8-12-22(13-9-20)35(33,34)29-23(25(31)32)5-1-2-15-28-24(30)16-18-4-3-14-27-17-18/h3-4,6-14,17,23,29H,1-2,5,15-16H2,(H,28,30)(H,31,32)