ethyl 1-[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-benzylsulfonylisonipecotoyl)isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O5S/c1-2-28-21(25)19-8-12-22(13-9-19)20(24)18-10-14-23(15-11-18)29(26,27)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3