2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-naphthalen-1-ylethanoylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-naphthalen-1-ylethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthyl)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthalenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthyl)acetyl]amino]hexanoic acid Formula: C30H29BrN2O5S MolecularWeight: 609.53066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H29BrN2O5S/c31-25-15-11-21(12-16-25)22-13-17-26(18-14-22)39(37,38)33-28(30(35)36)10-3-4-19-32-29(34)20-24-8-5-7-23-6-1-2-9-27(23)24/h1-2,5-9,11-18,28,33H,3-4,10,19-20H2,(H,32,34)(H,35,36)