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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-phenoxyethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-phenoxyacetyl)amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-2-phenoxyethyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-phenoxyacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-phenoxyacetyl)amino]hexanoic acid Formula: C26H27BrN2O6S MolecularWeight: 575.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O6S/c27-21-13-9-19(10-14-21)20-11-15-23(16-12-20)36(33,34)29-24(26(31)32)8-4-5-17-28-25(30)18-35-22-6-2-1-3-7-22/h1-3,6-7,9-16,24,29H,4-5,8,17-18H2,(H,28,30)(H,31,32)