ethyl 1-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C19H27ClN2O6S MolecularWeight: 446.94548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O6S/c1-5-28-19(24)14-8-10-21(11-9-14)18(23)13(2)22(29(4,25)26)15-6-7-17(27-3)16(20)12-15/h6-7,12-14H,5,8-11H2,1-4H3