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

Systemtic Name: ethyl 1-[(2S)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(N-mesyl-3,4-dimethyl-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-6-27-20(24)17-9-11-21(12-10-17)19(23)16(4)22(28(5,25)26)18-8-7-14(2)15(3)13-18/h7-8,13,16-17H,6,9-12H2,1-5H3/t16-/m0/s1