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

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C20H29ClN2O6S MolecularWeight: 460.97206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O6S/c1-4-29-20(25)15-9-12-22(13-10-15)19(24)6-5-11-23(30(3,26)27)16-7-8-18(28-2)17(21)14-16/h7-8,14-15H,4-6,9-13H2,1-3H3