[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C(C#N)C(=N)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C)C

InChI

InChI=1S/C22H29N3O5S/c1-13-10-14(2)16(4)21(15(13)3)31(28,29)25-8-6-18(7-9-25)22(27)30-12-20(26)19(11-23)17(5)24/h10,18-19,24H,6-9,12H2,1-5H3/t19-/m0/s1