ethyl 1-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-ethoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-ethoxy-N-mesyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O6S/c1-4-26-17-8-6-16(7-9-17)21(28(3,24)25)14-18(22)20-12-10-15(11-13-20)19(23)27-5-2/h6-9,15H,4-5,10-14H2,1-3H3