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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(4-pyridylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(4-pyridylthio)acetyl]amino]hexanoic acid Formula: C25H26BrN3O5S2 MolecularWeight: 592.52504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)NC(CCCCNC(=O)CSC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)NC(CCCCNC(=O)CSC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C25H26BrN3O5S2/c26-20-8-4-18(5-9-20)19-6-10-22(11-7-19)36(33,34)29-23(25(31)32)3-1-2-14-28-24(30)17-35-21-12-15-27-16-13-21/h4-13,15-16,23,29H,1-3,14,17H2,(H,28,30)(H,31,32)