N-methyl-N-prop-2-enyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pent-4-yn-1-amine

Systemtic Name: N-methyl-N-prop-2-enyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pent-4-yn-1-amine Openeye Name: N-allyl-N-methyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]pent-4-yn-1-amine CAS Name: N-methyl-N-prop-2-enyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-4-pentyn-1-amine IUPAC Name: N-methyl-N-prop-2-enyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pent-4-yn-1-amine Traditional Name: allyl-methyl-[5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]pent-4-ynyl]amine Formula: C21H27F3N2O2S MolecularWeight: 428.51149

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC#CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC=C

Isomeric SMILES

CN(CCCC#CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC=C

InChI

InChI=1S/C21H27F3N2O2S/c1-3-14-25(2)15-6-4-5-7-18-12-16-26(17-13-18)29(27,28)20-10-8-19(9-11-20)21(22,23)24/h3,8-11,18H,1,4,6,12-17H2,2H3