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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(2-naphthalen-1-yloxyethanoylamino)hexanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthyloxy)acetyl]amino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(2-naphthalen-1-yloxyacetyl)amino]hexanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(1-naphthoxy)acetyl]amino]hexanoic acid Formula: C30H29BrN2O6S MolecularWeight: 625.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(=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=C2OCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H29BrN2O6S/c31-24-15-11-21(12-16-24)22-13-17-25(18-14-22)40(37,38)33-27(30(35)36)9-3-4-19-32-29(34)20-39-28-10-5-7-23-6-1-2-8-26(23)28/h1-2,5-8,10-18,27,33H,3-4,9,19-20H2,(H,32,34)(H,35,36)