phenacyl 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: phenacyl 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: phenacyl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylisonipecotic acid phenacyl ester Formula: C21H19ClF3NO5S MolecularWeight: 489.89247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3NO5S/c22-17-7-6-16(21(23,24)25)12-19(17)32(29,30)26-10-8-15(9-11-26)20(28)31-13-18(27)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2