ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3-pyridylmethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(3-pyridinylmethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-pyridylmethylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-2-29-21(26)18-5-7-19(8-6-18)30(27,28)24-12-9-17(10-13-24)20(25)23-15-16-4-3-11-22-14-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,23,25)