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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-phenoxybutanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-phenoxybutanoylamino)hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-2-phenoxybutyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-phenoxybutanoylamino)hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-phenoxybutanoylamino)hexanoic acid Formula: C28H31BrN2O6S MolecularWeight: 603.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)OC3=CC=CC=C3

InChI

InChI=1S/C28H31BrN2O6S/c1-2-26(37-23-8-4-3-5-9-23)27(32)30-19-7-6-10-25(28(33)34)31-38(35,36)24-17-13-21(14-18-24)20-11-15-22(29)16-12-20/h3-5,8-9,11-18,25-26,31H,2,6-7,10,19H2,1H3,(H,30,32)(H,33,34)