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

Systemtic Name: methyl 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-(3-pyridylmethyl)-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-(3-pyridinylmethyl)-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-(3-pyridylmethyl)-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-25-19(22)17-6-2-3-7-18(17)26(23,24)16-8-11-21(12-9-16)14-15-5-4-10-20-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3