[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H20ClNO6S/c23-17-9-8-16(13-21(17)31(27,28)24-10-4-1-5-11-24)22(26)29-14-18(25)20-12-15-6-2-3-7-19(15)30-20/h2-3,6-9,12-13H,1,4-5,10-11,14H2