methyl 2-[4-(pyridin-3-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(pyridin-3-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(3-pyridylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(3-pyridinylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(pyridin-3-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(3-pyridylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O5S/c1-27-19(24)16-6-2-3-7-17(16)28(25,26)22-11-8-14(9-12-22)18(23)21-15-5-4-10-20-13-15/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,21,23)