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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(6-phenylhexanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(6-phenylhexanoylamino)hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-6-phenylhexyl)amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(6-phenylhexanoylamino)hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(6-phenylhexanoylamino)hexanoic acid Formula: C30H35BrN2O5S MolecularWeight: 615.5783

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H35BrN2O5S/c31-26-18-14-24(15-19-26)25-16-20-27(21-17-25)39(37,38)33-28(30(35)36)12-7-8-22-32-29(34)13-6-2-5-11-23-9-3-1-4-10-23/h1,3-4,9-10,14-21,28,33H,2,5-8,11-13,22H2,(H,32,34)(H,35,36)