N-ethyl-N-(2-methoxyethyl)-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]but-3-yn-1-amine

Systemtic Name: N-ethyl-N-(2-methoxyethyl)-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]but-3-yn-1-amine Openeye Name: N-ethyl-N-(2-methoxyethyl)-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]but-3-yn-1-amine CAS Name: N-ethyl-N-(2-methoxyethyl)-4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-3-butyn-1-amine IUPAC Name: N-ethyl-N-(2-methoxyethyl)-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]but-3-yn-1-amine Traditional Name: ethyl-(2-methoxyethyl)-[4-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]but-3-ynyl]amine Formula: C21H29F3N2O3S MolecularWeight: 446.52677

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CCOC

Isomeric SMILES

CCN(CCC#CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CCOC

InChI

InChI=1S/C21H29F3N2O3S/c1-3-25(16-17-29-2)13-5-4-6-18-11-14-26(15-12-18)30(27,28)20-9-7-19(8-10-20)21(22,23)24/h7-10,18H,3,5,11-17H2,1-2H3