ethyl 3-bromanyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[[3-(trifluoromethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[3-(trifluoromethyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[3-(trifluoromethyl)piperidino]sulfonyl-benzoic acid ethyl ester Formula: C15H17BrF3NO4S MolecularWeight: 444.26399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C(F)(F)F)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C(F)(F)F)Br

InChI

InChI=1S/C15H17BrF3NO4S/c1-2-24-14(21)10-5-6-13(12(16)8-10)25(22,23)20-7-3-4-11(9-20)15(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3