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

Systemtic Name: ethyl 1-(3-piperidin-1-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1-piperidylsulfonyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(3-piperidinosulfonylbenzoyl)nipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

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