methyl 1-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-N-mesyl-4-methoxy-anilino)acetyl]isonipecotic acid methyl ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O6S/c1-25-15-5-4-13(10-14(15)18)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