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

Systemtic Name: ethyl 1-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3,4-dimethyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-5-26-19(23)16-8-10-20(11-9-16)18(22)13-21(27(4,24)25)17-7-6-14(2)15(3)12-17/h6-7,12,16H,5,8-11,13H2,1-4H3