ethyl 1-[4-[(3-chlorophenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chlorophenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-chloro-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-chloro-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-chloro-N-mesyl-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S/c1-3-27-19(24)15-9-12-21(13-10-15)18(23)8-5-11-22(28(2,25)26)17-7-4-6-16(20)14-17/h4,6-7,14-15H,3,5,8-13H2,1-2H3