(1-cyanoindolizin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H20ClN3O4S/c23-18-6-8-19(9-7-18)31(28,29)26-11-3-4-16(14-26)22(27)30-15-17-13-25-10-2-1-5-21(25)20(17)12-24/h1-2,5-10,13,16H,3-4,11,14-15H2