ethyl 1-(3-piperidin-1-ylsulfonylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-piperidin-1-ylsulfonylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-piperidinosulfonylbenzoyl)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)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-2-27-20(24)16-9-13-21(14-10-16)19(23)17-7-6-8-18(15-17)28(25,26)22-11-4-3-5-12-22/h6-8,15-16H,2-5,9-14H2,1H3