[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H23NO6S/c1-16-17-9-3-5-11-20(17)30-22(16)19(25)15-29-23(26)18-10-4-6-12-21(18)31(27,28)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-15H2,1H3