ethyl 1-[(2S)-2-(4-piperidin-1-ylsulfonylphenyl)carbonyloxypropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(4-piperidin-1-ylsulfonylphenyl)carbonyloxypropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-(1-piperidylsulfonyl)benzoyl]oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methoxy]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(4-piperidin-1-ylsulfonylbenzoyl)oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(4-piperidinosulfonylbenzoyl)oxypropanoyl]isonipecotic acid ethyl ester Formula: C23H32N2O7S MolecularWeight: 480.57438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H32N2O7S/c1-3-31-22(27)19-11-15-24(16-12-19)21(26)17(2)32-23(28)18-7-9-20(10-8-18)33(29,30)25-13-5-4-6-14-25/h7-10,17,19H,3-6,11-16H2,1-2H3/t17-/m0/s1