ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O5S/c1-2-32-21(29)16-6-8-18(9-7-16)26-20(28)15-10-12-27(13-11-15)33(30,31)19-5-3-4-17(14-19)22(23,24)25/h3-9,14-15H,2,10-13H2,1H3,(H,26,28)