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

Systemtic Name: methyl 1-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 1-[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3,4-dimethoxy-anilino)acetyl]isonipecotic acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)OC

InChI

InChI=1S/C18H26N2O7S/c1-25-15-6-5-14(11-16(15)26-2)20(28(4,23)24)12-17(21)19-9-7-13(8-10-19)18(22)27-3/h5-6,11,13H,7-10,12H2,1-4H3