(5-ethanoyl-2-methoxy-phenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H24F3NO6S MolecularWeight: 499.49997

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H24F3NO6S/c1-15(28)17-6-7-21(32-2)18(12-17)14-33-22(29)16-8-10-27(11-9-16)34(30,31)20-5-3-4-19(13-20)23(24,25)26/h3-7,12-13,16H,8-11,14H2,1-2H3