(1-cyanoindolizin-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H20F3N3O4S MolecularWeight: 491.48281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H20F3N3O4S/c24-23(25,26)19-5-1-2-7-21(19)34(31,32)29-11-8-16(9-12-29)22(30)33-15-17-14-28-10-4-3-6-20(28)18(17)13-27/h1-7,10,14,16H,8-9,11-12,15H2