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

Systemtic Name: N-methyl-N-propyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pent-4-yn-1-amine Openeye Name: N-methyl-N-propyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]pent-4-yn-1-amine CAS Name: N-methyl-N-propyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-4-pentyn-1-amine IUPAC Name: N-methyl-N-propyl-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pent-4-yn-1-amine Traditional Name: methyl-propyl-[5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]pent-4-ynyl]amine Formula: C21H29F3N2O2S MolecularWeight: 430.52737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29F3N2O2S/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/h8-11,18H,3-4,6,12-17H2,1-2H3