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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-thiophen-2-ylethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(2-thienyl)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-2-thiophen-2-ylethyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-thiophen-2-ylacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(2-thienyl)acetyl]amino]hexanoic acid Formula: C24H25BrN2O5S2 MolecularWeight: 565.4997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O5S2/c25-19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(31,32)27-22(24(29)30)5-1-2-14-26-23(28)16-20-4-3-15-33-20/h3-4,6-13,15,22,27H,1-2,5,14,16H2,(H,26,28)(H,29,30)