methyl 1-[4-chloranyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-chloranyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-chloro-3-(3-pyridylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-chloro-3-(3-pyridinylmethylsulfamoyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(3-pyridylmethylsulfamoyl)benzoyl]isonipecotic acid methyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H22ClN3O5S/c1-29-20(26)15-6-9-24(10-7-15)19(25)16-4-5-17(21)18(11-16)30(27,28)23-13-14-3-2-8-22-12-14/h2-5,8,11-12,15,23H,6-7,9-10,13H2,1H3