[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[2-furanylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[2-furfuryl(methyl)amino]-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N2O6S/c1-21(14-16-8-7-13-27-16)19(23)15-28-20(24)17-9-3-4-10-18(17)29(25,26)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3