methyl 2-[4-[(2-ethoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-ethoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-ethoxy-3-pyridyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(2-ethoxy-3-pyridinyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-ethoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-ethoxy-3-pyridyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H27N3O6S/c1-3-31-21-17(7-6-12-23-21)15-24-20(26)16-10-13-25(14-11-16)32(28,29)19-9-5-4-8-18(19)22(27)30-2/h4-9,12,16H,3,10-11,13-15H2,1-2H3,(H,24,26)