ethyl 1-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O5S/c1-4-28-20(25)16-9-12-22(13-10-16)19(24)6-5-11-23(29(3,26)27)18-14-17(21)8-7-15(18)2/h7-8,14,16H,4-6,9-13H2,1-3H3