[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N2O6S/c1-15(19(23)21-14-17-8-6-12-27-17)28-20(24)16-7-5-9-18(13-16)29(25,26)22-10-3-2-4-11-22/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,21,23)