methyl 2-[4-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(2-pyridylmethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(2-pyridinylmethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-pyridylmethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H23N3O5S/c1-28-20(25)17-7-2-3-8-18(17)29(26,27)23-12-9-15(10-13-23)19(24)22-14-16-6-4-5-11-21-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24)