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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-thiophen-2-ylbutanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[4-(2-thienyl)butanoylamino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-4-thiophen-2-ylbutyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-thiophen-2-ylbutanoylamino)hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[4-(2-thienyl)butanoylamino]hexanoic acid Formula: C26H29BrN2O5S2 MolecularWeight: 593.55286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN2O5S2/c27-21-13-9-19(10-14-21)20-11-15-23(16-12-20)36(33,34)29-24(26(31)32)7-1-2-17-28-25(30)8-3-5-22-6-4-18-35-22/h4,6,9-16,18,24,29H,1-3,5,7-8,17H2,(H,28,30)(H,31,32)