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

Systemtic Name: ethyl 1-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,4-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3,4-dimethoxy-anilino)acetyl]isonipecotic acid ethyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O7S/c1-5-28-19(23)14-8-10-20(11-9-14)18(22)13-21(29(4,24)25)15-6-7-16(26-2)17(12-15)27-3/h6-7,12,14H,5,8-11,13H2,1-4H3