propyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]benzoic acid propyl ester Formula: C23H25F3N2O5S MolecularWeight: 498.51521

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H25F3N2O5S/c1-2-15-33-22(30)17-7-9-18(10-8-17)27-21(29)16-11-13-28(14-12-16)34(31,32)20-6-4-3-5-19(20)23(24,25)26/h3-10,16H,2,11-15H2,1H3,(H,27,29)