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

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-2-27-20(24)17-7-6-12-21(15-17)19(23)16-8-10-18(11-9-16)28(25,26)22-13-4-3-5-14-22/h8-11,17H,2-7,12-15H2,1H3/t17-/m0/s1