methyl 1-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-chloro-3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-piperidinosulfonyl-benzoyl)isonipecotic acid methyl ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25ClN2O5S/c1-27-19(24)14-7-11-21(12-8-14)18(23)15-5-6-16(20)17(13-15)28(25,26)22-9-3-2-4-10-22/h5-6,13-14H,2-4,7-12H2,1H3