ethyl 1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-besylnipecotoyl]isonipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H28N2O5S/c1-2-27-20(24)16-10-13-21(14-11-16)19(23)17-7-6-12-22(15-17)28(25,26)18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3/t17-/m0/s1