1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]piperazine Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C=CC#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)/C=C/C#CC3=CC=CC=C3

InChI

InChI=1S/C21H19F3N2O2S/c22-21(23,24)19-9-11-20(12-10-19)25-13-15-26(16-14-25)29(27,28)17-5-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-12,17H,13-16H2/b17-5+