methyl 2-[1-(1-benzofuran-5-ylcarbonyl)piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-(1-benzofuran-5-ylcarbonyl)piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-(benzofuran-5-carbonyl)-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[5-benzofuranyl(oxo)methyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-(benzofuran-5-carbonyl)-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C22H21NO6S/c1-28-22(25)18-4-2-3-5-20(18)30(26,27)17-8-11-23(12-9-17)21(24)16-6-7-19-15(14-16)10-13-29-19/h2-7,10,13-14,17H,8-9,11-12H2,1H3