methyl 1-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-N-mesyl-2-methoxy-anilino)acetyl]isonipecotic acid methyl ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O6S/c1-25-15-5-4-13(18)10-14(15)20(27(3,23)24)11-16(21)19-8-6-12(7-9-19)17(22)26-2/h4-5,10,12H,6-9,11H2,1-3H3