2-[[2-chloranyl-1-(4-cyanophenoxy)hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-[[2-chloranyl-1-(4-cyanophenoxy)hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-[1-[3-chloro-4-(4-cyanophenoxy)butyl]dodecylsulfonylamino]-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-[[2-chloro-1-(4-cyanophenoxy)hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-[[2-chloro-1-(4-cyanophenoxy)hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-[1-[3-chloro-4-(4-cyanophenoxy)butyl]dodecylsulfonylamino]-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C36H52ClN3O5S MolecularWeight: 674.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(COC1=CC=C(C=C1)C#N)Cl)S(=O)(=O)NC(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CCC(COC1=CC=C(C=C1)C#N)Cl)S(=O)(=O)NC(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C36H52ClN3O5S/c1-5-6-7-8-9-10-11-12-16-19-32(25-22-29(37)27-45-31-23-20-28(26-38)21-24-31)46(43,44)40-33(34(41)36(2,3)4)35(42)39-30-17-14-13-15-18-30/h13-15,17-18,20-21,23-24,29,32-33,40H,5-12,16,19,22,25,27H2,1-4H3,(H,39,42)