ethyl (3S)-1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-chloro-5-piperidinosulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O5S/c1-2-28-20(25)15-7-6-10-22(14-15)19(24)17-13-16(8-9-18(17)21)29(26,27)23-11-4-3-5-12-23/h8-9,13,15H,2-7,10-12,14H2,1H3/t15-/m0/s1