ethyl 1-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)isonipecotic acid ethyl ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

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