ethyl 1-[(2S)-2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(3-chloro-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(3-chloro-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(3-chloro-N-mesyl-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H25ClN2O5S/c1-4-26-18(23)14-8-10-20(11-9-14)17(22)13(2)21(27(3,24)25)16-7-5-6-15(19)12-16/h5-7,12-14H,4,8-11H2,1-3H3/t13-/m0/s1