methyl (E)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbut-2-enoate

Systemtic Name: methyl (E)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbut-2-enoate Openeye Name: methyl (E)-2-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]but-2-enoate CAS Name: (E)-2-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbut-2-enoate Traditional Name: (E)-2-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonylbut-2-enoic acid methyl ester Formula: C17H20F3NO5S MolecularWeight: 407.40461

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)OC)S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C/C=C(\C(=O)OC)/S(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H20F3NO5S/c1-3-15(16(22)25-2)27(23,24)21-10-8-14(9-11-21)26-13-6-4-12(5-7-13)17(18,19)20/h3-7,14H,8-11H2,1-2H3/b15-3+