N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfinyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfinyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(1-naphthylsulfinyl)acetamide CAS Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(1-naphthalenylsulfinyl)acetamide IUPAC Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfinylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-2-(1-naphthylsulfinyl)acetamide Formula: C28H36N2O2S MolecularWeight: 464.66264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CS(=O)C1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CS(=O)C1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

InChI

InChI=1S/C28H36N2O2S/c1-5-6-11-20-30(21-12-7-10-18-28(2,3)4)22-19-29-27(31)23-33(32)26-17-13-15-24-14-8-9-16-25(24)26/h8-9,13-17H,5-6,11,19-23H2,1-4H3,(H,29,31)