2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(7-phenylheptanoylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(7-phenylheptanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(7-phenylheptanoylamino)hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-7-phenylheptyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(7-phenylheptanoylamino)hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(7-phenylheptanoylamino)hexanoic acid Formula: C31H37BrN2O5S MolecularWeight: 629.60488

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H37BrN2O5S/c32-27-19-15-25(16-20-27)26-17-21-28(22-18-26)40(38,39)34-29(31(36)37)13-8-9-23-33-30(35)14-7-2-1-4-10-24-11-5-3-6-12-24/h3,5-6,11-12,15-22,29,34H,1-2,4,7-10,13-14,23H2,(H,33,35)(H,36,37)