[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H23N3O7S/c24-18(22-20(26)21-13-16-7-5-11-29-16)14-30-19(25)15-6-4-8-17(12-15)31(27,28)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13-14H2,(H2,21,22,24,26)