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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-phenylbutanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-phenylbutanoylamino)hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-4-phenylbutyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-phenylbutanoylamino)hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(4-phenylbutanoylamino)hexanoic acid Formula: C28H31BrN2O5S MolecularWeight: 587.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31BrN2O5S/c29-24-16-12-22(13-17-24)23-14-18-25(19-15-23)37(35,36)31-26(28(33)34)10-4-5-20-30-27(32)11-6-9-21-7-2-1-3-8-21/h1-3,7-8,12-19,26,31H,4-6,9-11,20H2,(H,30,32)(H,33,34)