methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(trifluoromethylsulfonyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-triflyl-isonipecotic acid methyl ester Formula: C18H20F3NO7S2 MolecularWeight: 483.47911

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)S(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)S(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H20F3NO7S2/c1-3-4-13-29-14-5-7-15(8-6-14)30(24,25)17(16(23)28-2)9-11-22(12-10-17)31(26,27)18(19,20)21/h5-8H,9-13H2,1-2H3