ethyl (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]nipecotic acid ethyl ester Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

InChI

InChI=1S/C24H36N2O5S/c1-6-31-24(28)21-8-7-11-25(15-21)23(27)20-9-12-26(13-10-20)32(29,30)22-18(4)16(2)14-17(3)19(22)5/h14,20-21H,6-13,15H2,1-5H3/t21-/m0/s1