(E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-2-ylsulfonylpropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-2-ylsulfonylpropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[3-(2-thienylsulfonyl)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-2-ylsulfonylpropoxy)phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-2-ylsulfonylpropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[3-(2-thienylsulfonyl)propoxy]benzyl]amine Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCCCS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCCCS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C25H33NO3S2/c1-5-26(16-8-6-7-15-25(2,3)4)21-22-12-9-13-23(20-22)29-17-11-19-31(27,28)24-14-10-18-30-24/h6,8-10,12-14,18,20H,5,11,16-17,19,21H2,1-4H3/b8-6+